Geometry & MOs

Info

ID:	218145
PubChem CID:	85088949
Reduced:	FN4O6C20H23 (1)
Stoich.:	AB4C6D20E23 (1)
Weight, g/mol:	436.08993
ΔH_f, kcal/mol:	-211.6
Dipole, Da:	6.93
IP(EA), eV:	-9.12(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(2-iodoethenyl)-3-methoxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC1C2C3(CC4=C(N2CC(O1)C(C)(C)C)C(=CC(=C4)[N+](=O)[O-])F)C(=O)NC(=O)NC3=O

DOS

IR

Vibrations