Geometry & MOs

Info

ID:	136685
PubChem CID:	52084828
Reduced:	O2S2N5H11C15 (1)
Stoich.:	A2B2C5D11E15 (1)
Weight, g/mol:	386.031433
ΔH_f, kcal/mol:	90.78
Dipole, Da:	4.13
IP(EA), eV:	-9.21(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)NC2=NN3C(=NN=C3S2)C4=CC=CS4

DOS

IR

Vibrations