Geometry & MOs

Info

ID:	17694
PubChem CID:	512369
Reduced:	SCl2O2N3C18H33 (1)
Stoich.:	AB2C2D3E18F33 (1)
Weight, g/mol:	425.167054
ΔH_f, kcal/mol:	-155.1
Dipole, Da:	8.41
IP(EA), eV:	-9.42(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(cyclohexylamino)ethylamino]butyl]benzenesulfonamide;dihydrochloride

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCNCCCCNS(=O)(=O)C2=CC=CC=C2.Cl.Cl

DOS

IR

Vibrations