Geometry & MOs

Info

ID:	205107
PubChem CID:	80056167
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	292.182064
ΔH_f, kcal/mol:	-92.67
Dipole, Da:	5.25
IP(EA), eV:	-8.03(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methoxyethyl)-N'-(3-methylsulfonylcyclohexyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC(C1)NC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations