Geometry & MOs

Info

ID:	53244
PubChem CID:	14709857
Reduced:	SCl3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	460.006963
ΔH_f, kcal/mol:	-144.19
Dipole, Da:	5.56
IP(EA), eV:	-9.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (E)-2-(4-methylphenyl)sulfonyl-5-phenylpent-3-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/CCC2=CC=CC=C2)/C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations