Geometry & MOs

Info

ID:	159197
PubChem CID:	57264361
Reduced:	SCl2N3O5C18H19 (1)
Stoich.:	AB2C3D5E18F19 (1)
Weight, g/mol:	250.957455
ΔH_f, kcal/mol:	-187.54
Dipole, Da:	1.88
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylethyl 2,6-dichloropyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Cl)Cl)CO

DOS

IR

Vibrations