Geometry & MOs

Info

ID:	54226
PubChem CID:	16955338
Reduced:	F3S3O4N5H14C20 (1)
Stoich.:	A3B3C4D5E14F20 (1)
Weight, g/mol:	360.050396
ΔH_f, kcal/mol:	-191.47
Dipole, Da:	11.74
IP(EA), eV:	-8.63(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=CS2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)OC(F)(F)F

DOS

IR

Vibrations