Geometry & MOs

Info

ID:	42920
PubChem CID:	10317144
Reduced:	ClON5H10C20 (1)
Stoich.:	ABC5D10E20 (1)
Weight, g/mol:	370.995382
ΔH_f, kcal/mol:	139.21
Dipole, Da:	10.36
IP(EA), eV:	-9.54(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(2-chloroanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C(=C(C(=O)N3N2)C#N)C4=CC=C(C=C4)Cl)C#N

DOS

IR

Vibrations