Geometry & MOs

Info

ID:

324628

PubChem CID:

126678017

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

626.210661

ΔHf, kcal/mol:

222.97

Dipole, Da:

4.4

IP(EA), eV:

 -7.88(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-15-(4-phenylquinazolin-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

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC(=CC=C3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)C8=C(N7C9=CC=CC=C9)C=CC1=C8OC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations