Geometry & MOs

Info

ID:	291980
PubChem CID:	114000018
Reduced:	ClSN2O3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	286.062343
ΔH_f, kcal/mol:	-114.58
Dipole, Da:	5.92
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-(pyridin-3-ylmethylsulfonyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSCC1=CC(=NC=C1)Cl)C(=O)O

DOS

IR

Vibrations