Geometry & MOs

Info

ID:	359205
PubChem CID:	127297624
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	274.171499
ΔH_f, kcal/mol:	-107.51
Dipole, Da:	4.47
IP(EA), eV:	-8.86(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexylsulfonyl-4-ethyl-1,4-diazepane

Drug info:

PubChemData

Smile

CN1CCC(C1)CN(C)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations