(2S,3R,4E,6R)-4-(Hydroxyimino)-3-Methoxy-2-Methyl-29-Oxa-1,7,17-Triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]Nonacosa-8,10,12,14,19,21,23,25,27-Nonaen-16-One
Properties
Property | Value |
---|---|
Formula | C27H22N4O4 |
IUPAC Name | (4z)-4-(hydroxyimino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1 2,6 .0 7,28 .0 8,13 .0 15,19 .0 20,27 .0 21,26 ]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one |
Molecular Mass | 466.488 g·mol−1 |
Heat of Formation | -81.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.50 ± 1.08 D |
Volume | 507.14 Å 3 |
Surface Area | 397.27 Å 2 |
HOMO Energy | -7.81 ± 0.55 eV |
LUMO Energy | 2.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | XZPCNXORIOQSOG-QTXVTUFVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |