Geometry & MOs

Info

ID:	213825
PubChem CID:	81065151
Reduced:	NSO3C8H15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	299.092436
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	4.1
IP(EA), eV:	-9.06(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-chloro-2-methoxybenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CSC

DOS

IR

Vibrations