Geometry & MOs

Info

ID:	203193
PubChem CID:	79791700
Reduced:	ClN2O3F4H9C11 (1)
Stoich.:	AB2C3D4E9F11 (1)
Weight, g/mol:	308.078405
ΔH_f, kcal/mol:	-318.25
Dipole, Da:	4.4
IP(EA), eV:	-9.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NC(=O)NC1=C(C(=CC=C1)Cl)F

DOS

IR

Vibrations