Geometry & MOs

Info

ID:	284743
PubChem CID:	104067169
Reduced:	ClSN2O4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	321.022642
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	5.61
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(6-propanoylpyridin-3-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)SC2=CC(=C(C=C2)Cl)C(=O)O)OC

DOS

IR

Vibrations