Geometry & MOs

Info

ID:	390458
PubChem CID:	134999267
Reduced:	NSO5C26H29 (1)
Stoich.:	ABC5D26E29 (1)
Weight, g/mol:	285.018367
ΔH_f, kcal/mol:	-129.53
Dipole, Da:	4.25
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C=CC1=CC=C(C=C1)OC)C2=C(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C

DOS

IR

Vibrations