Geometry & MOs

Info

ID:

220200

PubChem CID:

85165354

Reduced:

Br2O9H18C29 (1)

Stoich.:

A2B9C18D29 (1)

Weight, g/mol:

670.133125

ΔHf, kcal/mol:

-222.62

Dipole, Da:

3.09

IP(EA), eV:

 -9.08(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-(2-benzoylphenyl)furan-2-yl]-3a-methylsulfonyloxy-4-phenyl-3,8b-dihydro-2H-indeno[1,2-b]furan-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)C(=C5C(=C(C(=O)O5)C)OC)C(=O)O2

DOS

IR

Vibrations