Geometry & MOs

Info

ID:	136688
PubChem CID:	52085193
Reduced:	OCl2N2S2H14C19 (1)
Stoich.:	AB2C2D2E14F19 (1)
Weight, g/mol:	426.107185
ΔH_f, kcal/mol:	45.98
Dipole, Da:	5.54
IP(EA), eV:	-8.42(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CSC2=S)CNC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations