Geometry & MOs

Info

ID:

170405

PubChem CID:

75228487

Reduced:

BrSeN2O5H29C35 (1)

Stoich.:

ABC2D5E29F35 (1)

Weight, g/mol:

636.15273

ΔHf, kcal/mol:

-26.25

Dipole, Da:

2.48

IP(EA), eV:

 -8.47(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-(4-methoxyphenyl)-10'-phenyl-6'-(phenylselanylmethyl)spiro[3,4-dihydronaphthalene-2,9'-8-oxa-3,7-diazatricyclo[5.3.0.02,5]decane]-1,4'-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3C(C2=O)C(N4C3C(C5(O4)COC6=CC=CC=C6C5=O)C7=CC=C(C=C7)Br)C[Se]C8=CC=CC=C8

DOS

IR

Vibrations