Geometry & MOs

Info

ID:	2965
PubChem CID:	8957
Reduced:	NaO5C24H33 (1)
Stoich.:	AB5C24D33 (1)
Weight, g/mol:	424.222568
ΔH_f, kcal/mol:	-296.18
Dipole, Da:	10.82
IP(EA), eV:	-9.59(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;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)pentanoate

Drug info:

PubChemData

Smile

CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.[Na+]

DOS

IR

Vibrations