Geometry & MOs

Info

ID:

324604

PubChem CID:

126677975

Reduced:

ON4H32C46 (1)

Stoich.:

AB4C32D46 (1)

Weight, g/mol:

656.257612

ΔHf, kcal/mol:

191.22

Dipole, Da:

0.83

IP(EA), eV:

 -7.98(-0.78)

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-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)N(C7=C6C=CC8=C7OC9=CC=CC=C89)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations