Geometry & MOs

Info

ID:

215362

PubChem CID:

85084612

Reduced:

N7O9C45H59 (1)

Stoich.:

A7B9C45D59 (1)

Weight, g/mol:

842.257456

ΔHf, kcal/mol:

-292.23

Dipole, Da:

4.67

IP(EA), eV:

 -8.42(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-hydroxy-5-[6-hydroxy-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)OC)C)C)CC5=CC=C(C=C5)OC)C)C)CCN(C)C

DOS

IR

Vibrations