Geometry & MOs

Info

ID:

133379

PubChem CID:

51517741

Reduced:

N2O3C13H13 (1)

Stoich.:

A2B3C13D13 (1)

Weight, g/mol:

414.033071

ΔHf, kcal/mol:

-79.53

Dipole, Da:

4.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764843

Charge, e:

 1

Chem-info

IUPAC name:

(3-aminoisoindol-1-ylidene)-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]azanium

Drug info:

PubChemData

Smile

CC(C)N/C(=C/1\C(=O)C2=CC=CC=C2NC1=O)/[O-]

DOS

IR

Vibrations