Geometry & MOs

Info

ID:

378577

PubChem CID:

134224668

Reduced:

ON3H25C42 (1)

Stoich.:

AB3C25D42 (1)

Weight, g/mol:

783.234434

ΔHf, kcal/mol:

182.63

Dipole, Da:

2.21

IP(EA), eV:

 -8.29(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-methylphenyl)-6,8-diphenyl-3-(14-thia-28-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-28-yl)-[1]benzofuro[2,3-b]pyrazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N4C5=CC6=CC=CC=C6C=C5C7=CC8=C(C=C74)OC9=CC1=CC=CC=C1C=C98

DOS

IR

Vibrations