Geometry & MOs

Info

ID:

325039

PubChem CID:

126679342

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

726.241962

ΔHf, kcal/mol:

245.25

Dipole, Da:

6.47

IP(EA), eV:

 -7.83(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-naphthalen-2-yl-15-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=C(C7=C5C8=C(C=C7)OC9=CC=CC=C98)C1=C(C=C6)N(C2=CC=CC=C21)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations