1-[(Ethoxycarbonyl)Oxy]Ethyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H26N2O7S
IUPAC Name [(1r)-1-ethoxycarbonyloxyethyl] (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 450.505 g·mol−1
Heat of Formation -1088.8 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 522.91 Å 3
Surface Area 416.15 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey LLOPNXSHSVOOOI-GMLZMKKNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N