Geometry & MOs

Info

ID:

311226

PubChem CID:

126589967

Reduced:

N2H28C41 (1)

Stoich.:

A2B28C41 (1)

Weight, g/mol:

710.250418

ΔHf, kcal/mol:

173.34

Dipole, Da:

4.57

IP(EA), eV:

 -8.09(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-18-thia-3-azaheptacyclo[15.13.0.02,14.04,13.07,12.019,24.025,30]triaconta-1(17),2(14),4(13),5,7,9,11,15,19,21,23,25,27,29-tetradecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C=C3)C5=CC6=C(C=C52)C7=CC=CC=C7C8=CC=CC=C8N6C9=CC=CC=C9

DOS

IR

Vibrations