Geometry & MOs

Info

ID:	413515
PubChem CID:	135086464
Reduced:	SH14C22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	304.128572
ΔH_f, kcal/mol:	185.97
Dipole, Da:	1.72
IP(EA), eV:	-8.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-2-(2-hept-1-ynylsulfanylphenyl)benzene

Drug info:

PubChemData

Smile

C#CC1=CC=CC=C1C2=CC=CC=C2SC#CC3=CC=CC=C3

DOS

IR

Vibrations