Geometry & MOs

Info

ID:	360934
PubChem CID:	127301765
Reduced:	SN2O5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	335.093977
ΔH_f, kcal/mol:	-178.53
Dipole, Da:	5.09
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]quinoxalin-2-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C(=O)COC3=CC=CC=C32

DOS

IR

Vibrations