Geometry & MOs

Info

ID:	412421
PubChem CID:	135085312
Reduced:	O2S2H8C11 (1)
Stoich.:	A2B2C8D11 (1)
Weight, g/mol:	190.045236
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	1.0
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-thiophen-2-ylhept-6-en-1-yn-3-one

Drug info:

PubChemData

Smile

C1=CSC=C1C(=O)CC(=O)C2=CSC=C2

DOS

IR

Vibrations