Geometry & MOs

Info

ID:	361804
PubChem CID:	127304710
Reduced:	N2S2O3C12H16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	394.042392
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	7.49
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CSC2=CC=NC=C2

DOS

IR

Vibrations