Geometry & MOs

Info

ID:

49389

PubChem CID:

11532958

Reduced:

N2O2C31H40 (1)

Stoich.:

A2B2C31D40 (1)

Weight, g/mol:

472.35526

ΔHf, kcal/mol:

-54.89

Dipole, Da:

3.39

IP(EA), eV:

 -8.32(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,10R,11R,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCCCC3)C4CCN(CC4)[C@H]5CC6CCC5C6

DOS

IR

Vibrations