Geometry & MOs

Info

ID:	213638
PubChem CID:	81064467
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	317.00628
ΔH_f, kcal/mol:	-144.99
Dipole, Da:	4.76
IP(EA), eV:	-9.85(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1CCC=C1

DOS

IR

Vibrations