Geometry & MOs

Info

ID:	366227
PubChem CID:	127319676
Reduced:	S2O3N4C14H16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	314.075885
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	8.16
IP(EA), eV:	-9.65(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations