Geometry & MOs

Info

ID:	359206
PubChem CID:	127297625
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	248.155849
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	5.43
IP(EA), eV:	-8.68(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(2-methylpropylsulfonyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CCN1CCCN(CC1)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations