Geometry & MOs

Info

ID:	136686
PubChem CID:	52085191
Reduced:	ClON2S2H15C19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	366.086056
ΔH_f, kcal/mol:	54.62
Dipole, Da:	4.4
IP(EA), eV:	-8.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methylphenyl)-N-[(3-phenyl-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=CC=C(C=C3)Cl

DOS

IR

Vibrations