Geometry & MOs

Info

ID:

442533

PubChem CID:

135252711

Reduced:

NO4H31C52 (1)

Stoich.:

AB4C31D52 (1)

Weight, g/mol:

609.19738

ΔHf, kcal/mol:

84.61

Dipole, Da:

4.33

IP(EA), eV:

 -8.32(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-[4-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]phenyl]sulfonyl-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)OC8=C7C=C(C=C8)C9=CC=C(C=C9)C1C2=CC=CC=C2OC2=CC=CC=C12

DOS

IR

Vibrations