Geometry & MOs

Info

ID:	17358
PubChem CID:	493963
Reduced:	Br2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	472.04356
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	8.88
IP(EA), eV:	-9.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-17-(2-bromoacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)CBr)CCC4=CC(=O)C(CC34C)Br

DOS

IR

Vibrations