Geometry & MOs

Info

ID:

189832

PubChem CID:

77910518

Reduced:

N2O5H30C33 (1)

Stoich.:

A2B5C30D33 (1)

Weight, g/mol:

524.194737

ΔHf, kcal/mol:

-95.79

Dipole, Da:

4.78

IP(EA), eV:

 -8.68(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(1-benzofuran-2-yl)-3-oxo-3-[(6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)amino]prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C(C2C(O1)C(CO2)OCC3=CC=CC=C3)NC(=O)C(=CC4=CC5=CC=CC=C5C=C4)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations