Geometry & MOs

Info

ID:

325000

PubChem CID:

126679159

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

244.26

Dipole, Da:

3.52

IP(EA), eV:

 -8.04(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C=CC7=C6N(C8=CC=CC=C78)C9=CC=CC=C9)C1=C5C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations