Geometry & MOs

Info

ID:	54223
PubChem CID:	16955225
Reduced:	SO2F3N4H13C17 (1)
Stoich.:	AB2C3D4E13F17 (1)
Weight, g/mol:	425.047954
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	3.64
IP(EA), eV:	-9.06(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=O)C2=CSC(=N2)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations