Geometry & MOs

Info

ID:

428104

PubChem CID:

135166058

Reduced:

OSN3H25C46 (1)

Stoich.:

ABC3D25E46 (1)

Weight, g/mol:

754.236876

ΔHf, kcal/mol:

213.38

Dipole, Da:

4.16

IP(EA), eV:

 -8.12(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=C(S4)C=CC6=C5C7=CC=CC=C7N6C8=NC9=CC=CC=C9C(=N8)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations