Geometry & MOs

Info

ID:	172137
PubChem CID:	75471153
Reduced:	SF3N3O3H10C17 (1)
Stoich.:	AB3C3D3E10F17 (1)
Weight, g/mol:	395.037389
ΔH_f, kcal/mol:	-156.52
Dipole, Da:	5.86
IP(EA), eV:	-8.55(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=C(C=CC=N4)C(F)(F)F

DOS

IR

Vibrations