Geometry & MOs

Info

ID:	213416
PubChem CID:	81063640
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	284.08085
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	3.59
IP(EA), eV:	-9.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-fluoro-5-nitrobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=CC=CO1

DOS

IR

Vibrations