Geometry & MOs

Info

ID:	361806
PubChem CID:	127304712
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	287.155515
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	5.6
IP(EA), eV:	-8.72(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(2-methylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2CCC3=CC=CC=C32

DOS

IR

Vibrations