Geometry & MOs

Info

ID:

324701

PubChem CID:

126678154

Reduced:

ON5H35C51 (1)

Stoich.:

AB5C35D51 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

220.99

Dipole, Da:

3.73

IP(EA), eV:

 -7.99(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-12-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C=C7C(=C6)C8=CC=CC=C8N7C9=CC=CC=C9)C1=C5C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations