Geometry & MOs

Info

ID:

164615

PubChem CID:

74426715

Reduced:

O22C57H86 (1)

Stoich.:

A22B57C86 (1)

Weight, g/mol:

456.360345

ΔHf, kcal/mol:

-922.09

Dipole, Da:

10.59

IP(EA), eV:

 -6.64(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a-tetradecahydropicen-13-one

Drug info:

PubChemData

Smile

CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C3CCC4(C3(CCC56C4C(CC7C5(C6)CCC(C7(C)COC8=CC(=O)C9=CC=CC=C9O8)OC1C(C(C(C(O1)CO)O)O)O)O)C)C

DOS

IR

Vibrations