Geometry & MOs

Info

ID:	24329
PubChem CID:	609345
Reduced:	O3C32H54 (1)
Stoich.:	A3B32C54 (1)
Weight, g/mol:	486.407296
ΔH_f, kcal/mol:	-216.36
Dipole, Da:	0.93
IP(EA), eV:	-8.79(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-hydroxy-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)O)C)C

DOS

IR

Vibrations