Geometry & MOs

Info

ID:	168462
PubChem CID:	74971824
Reduced:	O3C34H54 (1)
Stoich.:	A3B34C54 (1)
Weight, g/mol:	417.287909
ΔH_f, kcal/mol:	-203.26
Dipole, Da:	2.56
IP(EA), eV:	-8.92(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Drug info:

PubChemData

Smile

CC1=CCCC2(C(CCC2C(C)CCCC(C)C)C3=C(C=C(CC(CC1)(C)OC(=O)C)C=C3)C(C)O)C

DOS

IR

Vibrations