Geometry & MOs

Info

ID:

191177

PubChem CID:

78115472

Reduced:

N2O4C35H52 (1)

Stoich.:

A2B4C35D52 (1)

Weight, g/mol:

580.387623

ΔHf, kcal/mol:

-220.85

Dipole, Da:

3.48

IP(EA), eV:

 -9.75(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC(=O)C4C3(CCC5(C4CC(CC5)(C)C)C(=O)N6C=CN=C6)C)C)C

DOS

IR

Vibrations