Geometry & MOs

Info

ID:

324587

PubChem CID:

126677944

Reduced:

ON5H31C45 (1)

Stoich.:

AB5C31D45 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

201.01

Dipole, Da:

4.73

IP(EA), eV:

 -7.73(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)C3=CC=CC=C3)N4C5=C(C6=C4C7=C(C=C6)C8=CC=CC=C8O7)C9=C(C=C5)N(C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations