Geometry & MOs

Info

ID:

324582

PubChem CID:

126677934

Reduced:

ON2H32C54 (1)

Stoich.:

AB2C32D54 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

209.06

Dipole, Da:

1.86

IP(EA), eV:

 -7.96(-0.84)

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]-4-phenyl-19-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC9=C(C=C8)C1=CC=CC=C1C1=CC=CC=C19)C=CC1=C7OC2=CC=CC=C12

DOS

IR

Vibrations