Geometry & MOs

Info

ID:	23065
PubChem CID:	601507
Reduced:	O3C32H52 (1)
Stoich.:	A3B32C52 (1)
Weight, g/mol:	484.391646
ΔH_f, kcal/mol:	-228.14
Dipole, Da:	4.97
IP(EA), eV:	-9.5(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC(=O)C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C

DOS

IR

Vibrations