Geometry & MOs

Info

ID:	361754
PubChem CID:	127304570
Reduced:	S2N3O3C14H23 (1)
Stoich.:	A2B3C3D14E23 (1)
Weight, g/mol:	287.155515
ΔH_f, kcal/mol:	-117.72
Dipole, Da:	6.9
IP(EA), eV:	-8.48(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(3-methylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations