Geometry & MOs

Info

ID:

377123

PubChem CID:

134223161

Reduced:

SN3O20C64H71 (1)

Stoich.:

AB3C20D64E71 (1)

Weight, g/mol:

720.241806

ΔHf, kcal/mol:

-677.23

Dipole, Da:

10.81

IP(EA), eV:

 -8.45(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxyethyl]cyclohexyl] 3,4-bis(2-oxobut-3-enoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)OCCCCOCC(CCOC1=CC=C(C=C1)C(=O)OCCC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCC(COCCCCOC(=O)C=C)OC(=O)CCOC(=O)C=C)/C=N/NC4=NC5=CC=CC=C5S4)OC(=O)CCOC(=O)C=C

DOS

IR

Vibrations