Geometry & MOs

Info

ID:	400434
PubChem CID:	135047907
Reduced:	CuINZnO2C6H9 (1)
Stoich.:	ABCDE2F6G9 (1)
Weight, g/mol:	534.243245
ΔH_f, kcal/mol:	27.57
Dipole, Da:	11.75
IP(EA), eV:	-8.21(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;(9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;iron

Drug info:

PubChemData

Smile

CCOC(=O)C[CH2-].[C-]#N.[Cu]I.[Zn+2]

DOS

IR

Vibrations