Geometry & MOs

Info

ID:

324763

PubChem CID:

126678286

Reduced:

ClNO2H10C18 (1)

Stoich.:

ABC2D10E18 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

63.08

Dipole, Da:

4.09

IP(EA), eV:

 -9.08(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=C(C(=CC=C4)Cl)N=O

DOS

IR

Vibrations