Geometry & MOs

Info

ID:	203694
PubChem CID:	79859048
Reduced:	SN2O2C12H26 (1)
Stoich.:	AB2C2D12E26 (1)
Weight, g/mol:	278.202799
ΔH_f, kcal/mol:	-107.53
Dipole, Da:	4.14
IP(EA), eV:	-8.93(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N-(5-methylhexan-2-yl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CCCNC1CCCC1)CCS(=O)(=O)C

DOS

IR

Vibrations