Geometry & MOs

Info

ID:	361756
PubChem CID:	127304572
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	259.124215
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	3.57
IP(EA), eV:	-9.13(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(1-methylcyclopentyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CC2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations