Geometry & MOs

Info

ID:

437868

PubChem CID:

135227207

Reduced:

P2S4O12C57H78 (1)

Stoich.:

A2B4C12D57E78 (1)

Weight, g/mol:

460.077932

ΔHf, kcal/mol:

-523.22

Dipole, Da:

5.25

IP(EA), eV:

 -8.6(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylprop-2-enoyloxy)ethyl 4-(2-diethoxyphosphoryl-2-sulfanylideneethyl)sulfanylbenzoate

Drug info:

PubChemData

Smile

CCOP(C)C1(C2CC(S1)(C=C2)CCCCCCCCCCC34CC(C=C3)C(S4)(P(=O)(OCC)OCC)SCC5=CC=C(C=C5)C(=O)OCCOC(=O)C(=C)C)SCC6=CC=C(C=C6)C(=O)OCCOC(=O)C(=C)C

DOS

IR

Vibrations