Geometry & MOs

Info

ID:	213205
PubChem CID:	81063158
Reduced:	ClNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	307.083156
ΔH_f, kcal/mol:	-208.1
Dipole, Da:	7.6
IP(EA), eV:	-10.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C

DOS

IR

Vibrations