Geometry & MOs

Info

ID:	176956
PubChem CID:	76116836
Reduced:	N2O6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	440.365431
ΔH_f, kcal/mol:	-231.4
Dipole, Da:	5.85
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5,6-dimethylhept-3-en-2-yl)-3-ethoxy-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(=O)N(C1COC2=C1C=C(C=C2)CNC(=O)OC(C)(C)C)C(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations