Geometry & MOs

Info

ID:

324691

PubChem CID:

126678141

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

229.45

Dipole, Da:

3.52

IP(EA), eV:

 -7.91(-1.08)

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]-25-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2C4=CC=CC=C4C=C3)N5C6=C(C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=C(C=C6)C2=CC=CC=C2O1

DOS

IR

Vibrations