Geometry & MOs

Info

ID:	53243
PubChem CID:	14709856
Reduced:	SCl3O4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	460.006963
ΔH_f, kcal/mol:	-212.61
Dipole, Da:	5.41
IP(EA), eV:	-10.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (E)-2-(4-methylphenyl)sulfonyl-5-phenylpent-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC/C=C(\C(=O)OCC(Cl)(Cl)Cl)/S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations