Geometry & MOs

Info

ID:

324606

PubChem CID:

126677978

Reduced:

ON4H28C46 (1)

Stoich.:

AB4C28D46 (1)

Weight, g/mol:

656.257612

ΔHf, kcal/mol:

218.71

Dipole, Da:

4.11

IP(EA), eV:

 -7.84(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C8=C(C=C7)OC9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations