Geometry & MOs

Info

ID:	369647
PubChem CID:	127334977
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	354.107185
ΔH_f, kcal/mol:	-136.92
Dipole, Da:	7.26
IP(EA), eV:	-9.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-(pyridin-3-ylmethyl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)N(CC3=CN=CC=C3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations