Geometry & MOs

Info

ID:	213873
PubChem CID:	81065504
Reduced:	ClNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	298.0965
ΔH_f, kcal/mol:	-137.64
Dipole, Da:	3.06
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-fluoro-2-nitrobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCSC1=CC=CC=C1Cl

DOS

IR

Vibrations