Geometry & MOs

Info

ID:	361772
PubChem CID:	127304619
Reduced:	SF2N2O4C16H18 (1)
Stoich.:	AB2C2D4E16F18 (1)
Weight, g/mol:	324.089226
ΔH_f, kcal/mol:	-245.0
Dipole, Da:	9.16
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2CC(=O)N(C2)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations