Geometry & MOs

Info

ID:	361750
PubChem CID:	127304566
Reduced:	SN2O4C15H26 (1)
Stoich.:	AB2C4D15E26 (1)
Weight, g/mol:	349.171165
ΔH_f, kcal/mol:	-206.74
Dipole, Da:	5.0
IP(EA), eV:	-9.89(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCS(=O)(=O)CC1)NC(=O)C2CCCC2

DOS

IR

Vibrations