Geometry & MOs

Info

ID:	352854
PubChem CID:	127283944
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	4.13
IP(EA), eV:	-9.43(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclohexylsulfonyl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NS(=O)(=O)C2CCCCC2

DOS

IR

Vibrations