Geometry & MOs

Info

ID:

378579

PubChem CID:

134224670

Reduced:

OS2N3H25C48 (1)

Stoich.:

AB2C3D25E48 (1)

Weight, g/mol:

779.239519

ΔHf, kcal/mol:

225.78

Dipole, Da:

3.22

IP(EA), eV:

 -8.04(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-[3-(6-phenylnaphthalen-2-yl)quinoxalin-2-yl]phenyl]-28-thia-14-azaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=C(N4C6=NC7=C(N=C6C8=CC9=C(C=C8)C1=CC=CC=C1O9)SC1=CC=CC=C17)C=C1C2=CC=CC=C2SC1=C5

DOS

IR

Vibrations