Geometry & MOs

Info

ID:

329256

PubChem CID:

126733320

Reduced:

N2O4C29H38 (1)

Stoich.:

A2B4C29D38 (1)

Weight, g/mol:

565.340338

ΔHf, kcal/mol:

-135.27

Dipole, Da:

6.51

IP(EA), eV:

 -9.6(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4aS,6aR,6bS,9R,12aS,14bR)-11-cyano-9-(methoxymethoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CCCC1C2CC[C@@]3([C@@]1(C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)[C@@]5(C)C(=O)NC)C#N)C)C)OC2)C

DOS

IR

Vibrations