Geometry & MOs

Info

ID:

428102

PubChem CID:

135166056

Reduced:

SN3H27C46 (1)

Stoich.:

AB3C27D46 (1)

Weight, g/mol:

680.203468

ΔHf, kcal/mol:

235.67

Dipole, Da:

4.57

IP(EA), eV:

 -7.99(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-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=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)SC9=C8C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations