Geometry & MOs

Info

ID:	12450
PubChem CID:	137939
Reduced:	SC5H6 (1)
Stoich.:	AB5C6 (1)
Weight, g/mol:	98.019021
ΔH_f, kcal/mol:	68.51
Dipole, Da:	1.8
IP(EA), eV:	-8.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanylbut-1-en-3-yne

Drug info:

PubChemData

Smile

CSC=CC#C

DOS

IR

Vibrations