Geometry & MOs

Info

ID:

219197

PubChem CID:

85091450

Reduced:

ClNO2C12H12 (3)

Stoich.:

ABC2D12E12 (3)

Weight, g/mol:

726.268906

ΔHf, kcal/mol:

-166.21

Dipole, Da:

3.83

IP(EA), eV:

 -8.83(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[3-[dimethyl(phenyl)silyl]prop-1-enyl]-4,4-bis-(4-methylphenyl)sulfonylcyclopentyl]prop-2-enyl-dimethyl-phenylsilane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C3=C(C4CN(CC(C3)N4)C(=O)C)C(=O)N(CC5=CC6=C(C=C5Cl)OCO6)C7CC7)Cl

DOS

IR

Vibrations