Geometry & MOs

Info

ID:	213194
PubChem CID:	81063143
Reduced:	NO5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	273.056799
ΔH_f, kcal/mol:	-233.84
Dipole, Da:	6.78
IP(EA), eV:	-9.87(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-fluorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)COCCOC

DOS

IR

Vibrations