Geometry & MOs

Info

ID:	213997
PubChem CID:	81065667
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	4.44
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CSC1=CC=NC=C1

DOS

IR

Vibrations