Geometry & MOs

Info

ID:	361817
PubChem CID:	127304723
Reduced:	N2S2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	307.087829
ΔH_f, kcal/mol:	-102.03
Dipole, Da:	2.68
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(7-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CSCC2=CC=NC=C2

DOS

IR

Vibrations