Geometry & MOs

Info

ID:	391807
PubChem CID:	135009742
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	412.074485
ΔH_f, kcal/mol:	-98.11
Dipole, Da:	1.14
IP(EA), eV:	-9.0(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(benzenesulfonyl)-2-(4-ethynylphenyl)ethenyl]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=C1CCCC2)OC(=O)C

DOS

IR

Vibrations