Geometry & MOs

Info

ID:	413972
PubChem CID:	135086924
Reduced:	SO3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	340.074485
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	7.13
IP(EA), eV:	-9.21(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1-benzylsulfonylprop-1-en-2-yl]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C/C(=C\S(=O)(=O)CC1=CC=CC=C1)/C2=CC=C(C=C2)OC

DOS

IR

Vibrations