Geometry & MOs

Info

ID:

325045

PubChem CID:

126679363

Reduced:

ON4H30C48 (1)

Stoich.:

AB4C30D48 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

218.98

Dipole, Da:

4.26

IP(EA), eV:

 -7.92(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=NC(=NC3=CC=CC=C32)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations