Geometry & MOs

Info

ID:	413872
PubChem CID:	135086823
Reduced:	ON2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	218.076536
ΔH_f, kcal/mol:	82.82
Dipole, Da:	3.09
IP(EA), eV:	-8.13(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-prop-2-enylsulfinylbut-1-ynylbenzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N/N=C(/C2=CC=CC=C2)\C(=C)C3=CC=CC=C3

DOS

IR

Vibrations