Geometry & MOs

Info

ID:	173636
PubChem CID:	75664082
Reduced:	ClSO3N4H14C17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	391.009021
ΔH_f, kcal/mol:	4.09
Dipole, Da:	7.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969556
Charge, e:	-1

Chem-info

IUPAC name:

5-[2-(4-chloroanilino)-2-oxoethyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-5H-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC(=NN=C1N=C(C(S1)CC(=O)NC2=CC=C(C=C2)Cl)[O-])C3=CC=CO3

DOS

IR

Vibrations