Geometry & MOs

Info

ID:	53245
PubChem CID:	14709863
Reduced:	SCl3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	298.102751
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	8.03
IP(EA), eV:	-9.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(5-phenylpent-2-ynylsulfonyl)benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(/C=C/CC2=CC=CC=C2)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations