Geometry & MOs

Info

ID:	213517
PubChem CID:	81063976
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-207.33
Dipole, Da:	7.05
IP(EA), eV:	-10.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=CC=C1)S(=O)(=O)C

DOS

IR

Vibrations