Geometry & MOs

Info

ID:	404043
PubChem CID:	135064800
Reduced:	SC23H32 (1)
Stoich.:	AB23C32 (1)
Weight, g/mol:	298.175522
ΔH_f, kcal/mol:	25.68
Dipole, Da:	2.12
IP(EA), eV:	-8.35(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-(2-phenylsulfanylethynyl)cyclododecene

Drug info:

PubChemData

Smile

C=CCC(=C=C1CCCCCCCCCCC1)SC2=CC=CC=C2

DOS

IR

Vibrations