Geometry & MOs

Info

ID:

44940

PubChem CID:

10506682

Reduced:

O3N8C28H46 (1)

Stoich.:

A3B8C28D46 (1)

Weight, g/mol:

542.360739

ΔHf, kcal/mol:

-119.45

Dipole, Da:

3.49

IP(EA), eV:

 -9.36(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-4a-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)[C@@H](CC1=CN=CN1)NC(=O)C2=CC=CC(=N2)CNC[C@@H](C(=O)N)N

DOS

IR

Vibrations