(4As,4Br,10Ar,10Bs,12As)-10A,12A-Dimethyl-2-Oxo-1,2,3,4,4A,4B,5,7,8,9,10,10A,10B,11,12,12A-Hexadecahydronaphtho[2,1-F]Quinolin-8-Yl 4-{4-[Bis(2-Chloroethyl)Amino]Phenyl}Butanoate
Properties
Property | Value |
---|---|
Formula | C33H46Cl2N2O3 |
IUPAC Name | [(4as,4br,8r,10ar,10bs,12as)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1h-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate |
Molecular Mass | 589.636 g·mol−1 |
Heat of Formation | -750.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.32 ± 1.08 D |
Volume | 728.24 Å 3 |
Surface Area | 590.76 Å 2 |
HOMO Energy | -9.51 ± 0.55 eV |
LUMO Energy | 2.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | PBKHSKUCHZCYLT-LQCDKBEDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |