Geometry & MOs

Info

ID:	336995
PubChem CID:	127256560
Reduced:	O2Cl6H10C17 (1)
Stoich.:	A2B6C10D17 (1)
Weight, g/mol:	464.269161
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	3.84
IP(EA), eV:	-9.73(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,13S,17S)-17-(3-diethoxyphosphorylpropanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)CCCC(=O)C2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations