Geometry & MOs

Info

ID:

428094

PubChem CID:

135166048

Reduced:

OSN4H26C47 (1)

Stoich.:

ABC4D26E47 (1)

Weight, g/mol:

770.214033

ΔHf, kcal/mol:

239.78

Dipole, Da:

2.43

IP(EA), eV:

 -8.34(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-15-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=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C5=C(C=C4)SC6=CC=CC=C65)C7=C3C8=CC=CC=C8C9=CC=CC=C97)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations