Geometry & MOs

Info

ID:	47064
PubChem CID:	10529268
Reduced:	SN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	495.047812
ΔH_f, kcal/mol:	-59.14
Dipole, Da:	3.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.138436
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=[N+]1CC(=O)NC2=CC=CC=C2S(=O)(=O)N)C)C3=CC=CC=C3

DOS

IR

Vibrations