Geometry & MOs

Info

ID:

324624

PubChem CID:

126678013

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

656.257612

ΔHf, kcal/mol:

465.08

Dipole, Da:

4.57

IP(EA), eV:

 -7.97(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-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)C2NC(NC(N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)N(C8=C7C=CC9=C8OC1=CC=CC=C91)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations