Geometry & MOs

Info

ID:	390670
PubChem CID:	135000265
Reduced:	NSH9C14 (1)
Stoich.:	ABC9D14 (1)
Weight, g/mol:	318.979395
ΔH_f, kcal/mol:	131.08
Dipole, Da:	0.59
IP(EA), eV:	-8.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-5-(trifluoromethyl)anilino]-3-oxo-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN2C#CC3=CC=CS3

DOS

IR

Vibrations