Geometry & MOs

Info

ID:	548
PubChem CID:	2975
Reduced:	O5C24H34 (1)
Stoich.:	A5B24C34 (1)
Weight, g/mol:	402.240624
ΔH_f, kcal/mol:	-261.89
Dipole, Da:	5.66
IP(EA), eV:	-10.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C

DOS

IR

Vibrations