Geometry & MOs

Info

ID:

324599

PubChem CID:

126677965

Reduced:

ON2H28C46 (1)

Stoich.:

AB2C28D46 (1)

Weight, g/mol:

656.257612

ΔHf, kcal/mol:

180.54

Dipole, Da:

2.04

IP(EA), eV:

 -7.96(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-15-phenyl-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=CC=CC=C9C=C8)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations