Geometry & MOs

Info

ID:	222014
PubChem CID:	85293364
Reduced:	O2C31H52 (1)
Stoich.:	A2B31C52 (1)
Weight, g/mol:	458.375995
ΔH_f, kcal/mol:	-156.38
Dipole, Da:	1.13
IP(EA), eV:	-8.77(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

Drug info:

PubChemData

Smile

CC(C1(CCC2(CCC3(C4=C(CCC3(C2C1)C)C5(CCC(C(C5CC4)(C)C)O)C)C)C)C)O

DOS

IR

Vibrations