Geometry & MOs

Info

ID:	140179
PubChem CID:	52658841
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	425.063267
ΔH_f, kcal/mol:	-54.11
Dipole, Da:	6.76
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@@H](C)SCC(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations