Geometry & MOs

Info

ID:	213222
PubChem CID:	81063197
Reduced:	NSCl2O3C14H17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-140.32
Dipole, Da:	4.41
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(2-methoxyphenoxy)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CSC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations