Geometry & MOs

Info

ID:

428100

PubChem CID:

135166054

Reduced:

SN3H27C46 (1)

Stoich.:

AB3C27D46 (1)

Weight, g/mol:

680.203468

ΔHf, kcal/mol:

237.44

Dipole, Da:

4.08

IP(EA), eV:

 -8.09(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-thia-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=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)SC9=C8C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations