Geometry & MOs

Info

ID:	218465
PubChem CID:	85089491
Reduced:	ClFN3H25C29 (1)
Stoich.:	ABC3D25E29 (1)
Weight, g/mol:	469.12526
ΔH_f, kcal/mol:	53.81
Dipole, Da:	4.86
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-17-hydroxy-11-[4-(hydroxyiminomethyl)phenyl]-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1CN2CC(CC2C=C1C3=CNC(=C3C4=CC=NC=C4)C5=CC(=C(C=C5)F)Cl)C6=CC=CC=C6

DOS

IR

Vibrations