Geometry & MOs

Info

ID:	213465
PubChem CID:	81063829
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-145.28
Dipole, Da:	2.75
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CSC2=C1CCC(C2)C

DOS

IR

Vibrations