Geometry & MOs

Info

ID:	729
PubChem CID:	3274
Reduced:	O5C22H26 (1)
Stoich.:	A5B22C26 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-224.04
Dipole, Da:	5.93
IP(EA), eV:	-9.41(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CCC(=O)O

DOS

IR

Vibrations