Geometry & MOs

Info

ID:

186495

PubChem CID:

77439135

Reduced:

O13C44H54 (1)

Stoich.:

A13B44C54 (1)

Weight, g/mol:

444.142032

ΔHf, kcal/mol:

-486.7

Dipole, Da:

10.74

IP(EA), eV:

 -9.73(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C)C5=CC=CC=C5)OC(C)C)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C

DOS

IR

Vibrations