Geometry & MOs

Info

ID:	205102
PubChem CID:	80056162
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	262.171499
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	5.27
IP(EA), eV:	-9.04(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-methylsulfonylcyclohexyl)-N'-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC2CCCC(C2)S(=O)(=O)C)N

DOS

IR

Vibrations