Geometry & MOs

Info

ID:	360941
PubChem CID:	127301772
Reduced:	SN2O4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	273.049336
ΔH_f, kcal/mol:	-211.32
Dipole, Da:	4.68
IP(EA), eV:	-9.71(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations