Geometry & MOs

Info

ID:	278142
PubChem CID:	103833687
Reduced:	FNS2O4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	314.039499
ΔH_f, kcal/mol:	-189.96
Dipole, Da:	4.77
IP(EA), eV:	-8.49(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,4-thiazepan-4-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CSC)NS(=O)(=O)C1=C(C=CC(=C1)F)C(=O)OC

DOS

IR

Vibrations