Geometry & MOs

Info

ID:	401895
PubChem CID:	135053261
Reduced:	NS3O5H17C22 (1)
Stoich.:	AB3C5D17E22 (1)
Weight, g/mol:	307.037813
ΔH_f, kcal/mol:	-15.98
Dipole, Da:	4.06
IP(EA), eV:	-8.12(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-dimethylazanium;perchlorate

Drug info:

PubChemData

Smile

CSC1=S(C(=CC2=CC=CC=C21)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations