Geometry & MOs

Info

ID:	199542
PubChem CID:	79264845
Reduced:	F3N3O5C10H12 (1)
Stoich.:	A3B3C5D10E12 (1)
Weight, g/mol:	324.048854
ΔH_f, kcal/mol:	-367.91
Dipole, Da:	3.9
IP(EA), eV:	-10.82(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-6-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1C(=O)NC(=O)CN1C(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations