Geometry & MOs

Info

ID:

56709

PubChem CID:

22388561

Reduced:

ClSN4O4H23C24 (1)

Stoich.:

ABC4D4E23F24 (1)

Weight, g/mol:

582.035388

ΔHf, kcal/mol:

-79.86

Dipole, Da:

10.67

IP(EA), eV:

 -9.33(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=C(C=C(C=C3)OC(C)C)Cl)N=C(C=C2)C(=O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations