Geometry & MOs

Info

ID:

85543

PubChem CID:

49876695

Reduced:

ClIN2O4H15C23 (1)

Stoich.:

ABC2D4E15F23 (1)

Weight, g/mol:

395.029087

ΔHf, kcal/mol:

67.8

Dipole, Da:

6.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.744016

Charge, e:

 -1

Chem-info

IUPAC name:

4-ethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations