Geometry & MOs

Info

ID:

324528

PubChem CID:

126677836

Reduced:

ON5H33C45 (1)

Stoich.:

AB5C33D45 (1)

Weight, g/mol:

654.241962

ΔHf, kcal/mol:

188.86

Dipole, Da:

1.83

IP(EA), eV:

 -7.97(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-15-phenyl-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC=CC=C8)C=CC9=C7OC1=CC=CC=C91)C1=CC=CC=C1

DOS

IR

Vibrations