Geometry & MOs

Info

ID:	213891
PubChem CID:	81065522
Reduced:	ClNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-140.73
Dipole, Da:	3.56
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-chloro-4-hydroxybenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCSC1=CC=C(C=C1)Cl

DOS

IR

Vibrations