Geometry & MOs

Info

ID:

324705

PubChem CID:

126678166

Reduced:

ON5H33C45 (1)

Stoich.:

AB5C33D45 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

186.24

Dipole, Da:

5.17

IP(EA), eV:

 -7.96(-0.55)

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]-5-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)N3C4=C(C5=C3C=C6C(=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=C(C=C4)C1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations