Geometry & MOs

Info

ID:	400473
PubChem CID:	135048027
Reduced:	O5C17H18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	578.26946
ΔH_f, kcal/mol:	-170.32
Dipole, Da:	2.27
IP(EA), eV:	-9.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[(10S,13R,14R,17R)-17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;iron

Drug info:

PubChemData

Smile

C=CCOC(=O)C1(CCCC1=O)COC(=O)C2=CC=CC=C2

DOS

IR

Vibrations