Geometry & MOs

Info

ID:	213516
PubChem CID:	81063973
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	4.79
IP(EA), eV:	-10.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-methylsulfonylbenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NC=CN=C1

DOS

IR

Vibrations