Geometry & MOs

Info

ID:	218335
PubChem CID:	85089187
Reduced:	N5O7C20H27 (1)
Stoich.:	A5B7C20D27 (1)
Weight, g/mol:	450.10558
ΔH_f, kcal/mol:	-128.48
Dipole, Da:	7.79
IP(EA), eV:	-9.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-ethenyl-17-(2-iodoethenyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=NO2)N3C=C(N=C3)[N+](=O)[O-]

DOS

IR

Vibrations