Geometry & MOs

Info

ID:	47868
PubChem CID:	10535698
Reduced:	SC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	190.081622
ΔH_f, kcal/mol:	58.76
Dipole, Da:	1.86
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-1-ynylsulfanylethylbenzene

Drug info:

PubChemData

Smile

C1CC12CC2CSC3=CC=CC=C3

DOS

IR

Vibrations