Geometry & MOs

Info

ID:	179497
PubChem CID:	76490590
Reduced:	ClON4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	432.251189
ΔH_f, kcal/mol:	24.73
Dipole, Da:	2.85
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(17-acetyl-2,2-dihydroxy-10,13-dimethyl-3-oxo-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2C(CNN2)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations