Geometry & MOs

Info

ID:

170404

PubChem CID:

75228486

Reduced:

SeN2O6H32C36 (1)

Stoich.:

AB2C6D32E36 (1)

Weight, g/mol:

716.04251

ΔHf, kcal/mol:

-70.32

Dipole, Da:

4.54

IP(EA), eV:

 -8.4(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10'-(4-bromophenyl)-3'-(4-methoxyphenyl)-6'-(phenylselanylmethyl)spiro[2H-chromene-3,9'-8-oxa-3,7-diazatricyclo[5.3.0.02,5]decane]-4,4'-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3C4C(C(N3OC25COC6=CC=CC=C6C5=O)C[Se]C7=CC=CC=C7)C(=O)N4C8=CC=C(C=C8)OC

DOS

IR

Vibrations