Geometry & MOs

Info

ID:	137723
PubChem CID:	52251989
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	340.026011
ΔH_f, kcal/mol:	36.07
Dipole, Da:	8.58
IP(EA), eV:	-8.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NCC3=C(N=CC=C3)N4C=NC=N4

DOS

IR

Vibrations