Geometry & MOs

Info

ID:	290551
PubChem CID:	104644029
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	225.067094
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	5.14
IP(EA), eV:	-9.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-3-(2-methylsulfonylethylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(CNCC1=CC(=CC=C1)C#N)(C(=O)OC)O

DOS

IR

Vibrations