Geometry & MOs

Info

ID:	11447
PubChem CID:	115702
Reduced:	ClNS2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	333.04127
ΔH_f, kcal/mol:	59.03
Dipole, Da:	1.93
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4-dithiophen-2-ylbut-3-en-2-yl)pyridine;hydrochloride

Drug info:

PubChemData

Smile

CC(C=C(C1=CC=CS1)C2=CC=CS2)C3=CC=CC=N3.Cl

DOS

IR

Vibrations