Geometry & MOs

Info

ID:	213199
PubChem CID:	81063150
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	273.056799
ΔH_f, kcal/mol:	-176.11
Dipole, Da:	3.79
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-4-fluorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations