Geometry & MOs

Info

ID:	360922
PubChem CID:	127301743
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	305.083413
ΔH_f, kcal/mol:	-170.79
Dipole, Da:	7.95
IP(EA), eV:	-8.92(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-quinoxalin-2-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)COC2=CC=CC(=C2)NC(=O)C3CC3

DOS

IR

Vibrations