Geometry & MOs

Info

ID:	218638
PubChem CID:	85089738
Reduced:	O6C29H44 (1)
Stoich.:	A6B29C44 (1)
Weight, g/mol:	488.350175
ΔH_f, kcal/mol:	-333.35
Dipole, Da:	9.33
IP(EA), eV:	-9.83(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,2-dihydroxypropan-2-yl)-1,4a,4b,6a,9,9-hexamethyl-7-oxo-2,3,4,5,6,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4CCC(C5(C)C(=O)O)O)C)C2C1(C)O)C)C(=O)O

DOS

IR

Vibrations