Geometry & MOs

Info

ID:

54466

PubChem CID:

17388721

Reduced:

ClN4O5H13C22 (1)

Stoich.:

AB4C5D13E22 (1)

Weight, g/mol:

493.87921

ΔHf, kcal/mol:

72.36

Dipole, Da:

6.61

IP(EA), eV:

 -9.57(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-(dimethyl-lambda4-sulfanylidene)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=N\NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C(=C\C4=CC=C(C=C4)Cl)/C2=O

DOS

IR

Vibrations