Geometry & MOs

Info

ID:

324774

PubChem CID:

126678322

Reduced:

FN2O4C19H21 (1)

Stoich.:

AB2C4D19E21 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

-170.3

Dipole, Da:

1.54

IP(EA), eV:

 -9.12(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(4-phenylphenyl)-15-[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

C1COC(CN1CC2=CC=C(C=C2)F)CNC(=O)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations