Geometry & MOs

Info

ID:	213339
PubChem CID:	81063485
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-149.39
Dipole, Da:	5.1
IP(EA), eV:	-9.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(4-methoxyphenyl)sulfanylacetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CO1

DOS

IR

Vibrations