Geometry & MOs

Info

ID:	360920
PubChem CID:	127301741
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	311.064986
ΔH_f, kcal/mol:	-178.09
Dipole, Da:	6.84
IP(EA), eV:	-9.87(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzothiophen-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations