Geometry & MOs

Info

ID:	366160
PubChem CID:	127319569
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	314.075885
ΔH_f, kcal/mol:	-208.34
Dipole, Da:	5.7
IP(EA), eV:	-9.62(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCS(=O)(=O)C3)NC1=O

DOS

IR

Vibrations