Geometry & MOs

Info

ID:

221710

PubChem CID:

85286064

Reduced:

N2F3O8H25C31 (1)

Stoich.:

A2B3C8D25E31 (1)

Weight, g/mol:

610.231516

ΔHf, kcal/mol:

-378.92

Dipole, Da:

4.94

IP(EA), eV:

 -9.71(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

COC1=NC(=O)N(C=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations