Geometry & MOs

Info

ID:

324971

PubChem CID:

126678986

Reduced:

F3O3N6H13C18 (1)

Stoich.:

A3B3C6D13E18 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

-142.04

Dipole, Da:

2.46

IP(EA), eV:

 -9.03(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-18-[4-(4-phenylquinazolin-2-yl)phenyl]-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=O)NC=C2)OC(F)(F)F)COC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations