Geometry & MOs

Info

ID:	360947
PubChem CID:	127301778
Reduced:	SN2O5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	350.075885
ΔH_f, kcal/mol:	-184.38
Dipole, Da:	4.68
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CCN2C(=O)COC3=CC=CC=C32

DOS

IR

Vibrations