Geometry & MOs

Info

ID:	149928
PubChem CID:	53789610
Reduced:	SCl3N3O3H10C14 (1)
Stoich.:	AB3C3D3E10F14 (1)
Weight, g/mol:	199.054124
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	4.32
IP(EA), eV:	-9.12(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-amino-3-pyridin-1-ium-1-ylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CN(C(=O)NC1=C(C=C(C=C1Cl)Cl)Cl)SC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations