Geometry & MOs

Info

ID:	390539
PubChem CID:	134999635
Reduced:	NOSC17H25 (1)
Stoich.:	ABCD17E25 (1)
Weight, g/mol:	299.034018
ΔH_f, kcal/mol:	1.02
Dipole, Da:	4.17
IP(EA), eV:	-8.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C#CC1=CC=CC=C1)NS(=O)C(C)(C)C

DOS

IR

Vibrations