Geometry & MOs

Info

ID:

312903

PubChem CID:

126609637

Reduced:

N2O18C103H118 (1)

Stoich.:

A2B18C103D118 (1)

Weight, g/mol:

838.314183

ΔHf, kcal/mol:

-513.52

Dipole, Da:

4.05

IP(EA), eV:

 -8.74(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

furan-2-ylmethyl 3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]benzoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OCC(CNCC2=CC=CO2)O)C3=CC=C(C=C3)OCC(COC4=CC=C(C=C4)C(C)(C)C5=CC=C(C=C5)OCC(COC6=CC=C(C=C6)C(C)(C)C7=CC=C(C=C7)OCC(COC8=CC=C(C=C8)C(C)(C)C9=CC=C(C=C9)OCC(COC1=CC=C(C=C1)C(C)(C)C1=CC=C(C=C1)OCC(CNCC1=CC=CO1)O)O)O)O)O

DOS

IR

Vibrations