Geometry & MOs

Info

ID:	413728
PubChem CID:	135086678
Reduced:	SO2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	350.0202
ΔH_f, kcal/mol:	-1.98
Dipole, Da:	5.8
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)-2-ethylpent-2-en-4-ynyl]sulfonylthiophene

Drug info:

PubChemData

Smile

CCC(=CC#CC1=CC=C(C=C1)C)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations