Geometry & MOs

Info

ID:	361816
PubChem CID:	127304722
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	314.075885
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	8.96
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(pyridin-4-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C2=CC=CC=C21)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations