Geometry & MOs

Info

ID:	213757
PubChem CID:	81064881
Reduced:	NF3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	284.08085
ΔH_f, kcal/mol:	-323.99
Dipole, Da:	2.28
IP(EA), eV:	-9.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations