Geometry & MOs

Info

ID:	133554
PubChem CID:	51547902
Reduced:	ClSN3O4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	442.06283
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100563
Charge, e:	-1

Chem-info

IUPAC name:

(2-chlorophenyl)-[4-[(E)-3-[(6-methoxypyridin-3-yl)amino]-3-oxoprop-1-enyl]phenyl]sulfonylazanide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC=CC=C3Cl

DOS

IR

Vibrations