Geometry & MOs

Info

ID:

324529

PubChem CID:

126677843

Reduced:

ON4H30C46 (1)

Stoich.:

AB4C30D46 (1)

Weight, g/mol:

654.241962

ΔHf, kcal/mol:

208.62

Dipole, Da:

5.62

IP(EA), eV:

 -8.25(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-15-phenyl-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-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=C6C=CC8=C7C9=CC=CC=C9O8)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations