Geometry & MOs

Info

ID:	399769
PubChem CID:	135042476
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	287.043856
ΔH_f, kcal/mol:	-63.51
Dipole, Da:	1.45
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate

Drug info:

PubChemData

Smile

CCCCC#CC1=CC=CC=C1OC(=O)OC

DOS

IR

Vibrations