Geometry & MOs

Info

ID:

83471

PubChem CID:

49857632

Reduced:

N3O5H21C24 (1)

Stoich.:

A3B5C21D24 (1)

Weight, g/mol:

478.34229

ΔHf, kcal/mol:

-82.27

Dipole, Da:

7.28

IP(EA), eV:

 -8.89(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C2=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations