Geometry & MOs

Info

ID:

324603

PubChem CID:

126677973

Reduced:

ON4H30C46 (1)

Stoich.:

AB4C30D46 (1)

Weight, g/mol:

656.257612

ΔHf, kcal/mol:

205.31

Dipole, Da:

1.9

IP(EA), eV:

 -8.16(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-15-phenyl-18-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),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)C7=C(N6C8=CC=CC=C8)C=CC9=C7OC1=CC=CC=C91)C1=CC=CC=C1

DOS

IR

Vibrations