Geometry & MOs

Info

ID:	136687
PubChem CID:	52085192
Reduced:	ON2S2H18C20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	419.992461
ΔH_f, kcal/mol:	53.74
Dipole, Da:	6.46
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dichlorophenyl)-N-[(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=O)NCC2=CSC(=S)N2C3=CC=CC=C3

DOS

IR

Vibrations