Geometry & MOs

Info

ID:	361783
PubChem CID:	127304630
Reduced:	ClNSO4C19H26 (1)
Stoich.:	ABCD4E19F26 (1)
Weight, g/mol:	323.064986
ΔH_f, kcal/mol:	-170.57
Dipole, Da:	1.46
IP(EA), eV:	-9.07(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C=CC(=C2)Cl)OCC(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations