Geometry & MOs

Info

ID:

324601

PubChem CID:

126677971

Reduced:

ON4H30C46 (1)

Stoich.:

AB4C30D46 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

207.13

Dipole, Da:

5.15

IP(EA), eV:

 -7.97(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-15-phenyl-4-oxa-15,25-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C8=C(C=C7)C9=CC=CC=C9O8)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations