Geometry & MOs

Info

ID:

228975

PubChem CID:

87566575

Reduced:

SiZrCl2H32C40 (1)

Stoich.:

ABC2D32E40 (1)

Weight, g/mol:

260.071845

ΔHf, kcal/mol:

76.82

Dipole, Da:

2.04

IP(EA), eV:

 -7.68(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-methyl-3,3-dioxo-2-oxa-3lambda6-thiabicyclo[4.2.2]dec-1(8)-ene-8-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C([CH-]1)C=CC3=CC=CC=C32.CC1=CC2=C([CH-]1)C=CC3=CC=CC=C32.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

DOS

IR

Vibrations