Geometry & MOs

Info

ID:

324600

PubChem CID:

126677968

Reduced:

ON4H32C46 (1)

Stoich.:

AB4C32D46 (1)

Weight, g/mol:

654.241962

ΔHf, kcal/mol:

189.32

Dipole, Da:

2.37

IP(EA), eV:

 -7.99(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)N(C7=C6C8=C(C=C7)C9=CC=CC=C9O8)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations