Geometry & MOs

Info

ID:

56695

PubChem CID:

22387988

Reduced:

ClSN3O3C27H27 (1)

Stoich.:

ABC3D3E27F27 (1)

Weight, g/mol:

576.105661

ΔHf, kcal/mol:

-8.94

Dipole, Da:

8.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.929965

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-chloro-4-(phenylsulfanylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCC/C=C/S(=O)(=O)NC(=O)C1=N[N+](C2=CC=CC=C21)(C)CC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations