Geometry & MOs

Info

ID:

219612

PubChem CID:

85149498

Reduced:

Br2O7C26H30 (1)

Stoich.:

A2B7C26D30 (1)

Weight, g/mol:

614.183122

ΔHf, kcal/mol:

-262.52

Dipole, Da:

4.38

IP(EA), eV:

 -9.52(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] 2-(dimethylamino)acetate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=C1Br)OC(=O)C(C)(C)C)OC3=C(C(=C(C=C3)C(CC(C)C)O)OC)C(=O)OC2)Br

DOS

IR

Vibrations