Geometry & MOs

Info

ID:

324715

PubChem CID:

126678194

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

230.02

Dipole, Da:

1.87

IP(EA), eV:

 -7.96(-1.18)

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]-19-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)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)N(C9=C8C=CC1=C9C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations