Geometry & MOs

Info

ID:	401071
PubChem CID:	135049968
Reduced:	ClSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	314.103717
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	4.93
IP(EA), eV:	-9.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-ethyl-N-(4-methylphenyl)-5-phenyl-3,4-dihydrodithiol-1-ium-3-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CC=C2)S(=O)(=O)CCl

DOS

IR

Vibrations