Geometry & MOs

Info

ID:	18197
PubChem CID:	538876
Reduced:	O2C17H28 (2)
Stoich.:	A2B17C28 (2)
Weight, g/mol:	528.41786
ΔH_f, kcal/mol:	-245.87
Dipole, Da:	3.47
IP(EA), eV:	-9.1(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(C2C1C)C(CC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)OC(=O)C)C)C

DOS

IR

Vibrations