Geometry & MOs

Info

ID:

214892

PubChem CID:

85083808

Reduced:

O7C39H54 (1)

Stoich.:

A7B39C54 (1)

Weight, g/mol:

634.263181

ΔHf, kcal/mol:

-342.82

Dipole, Da:

8.45

IP(EA), eV:

 -8.5(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

triethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxy-4-oxo-2-phenylsulfanylbut-2-enyl)cyclohex-3-ene-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)COC(=O)C=CC6=CC(=C(C=C6)O)O)O)C)C)C2C1)C)C(=O)O)C

DOS

IR

Vibrations