Geometry & MOs

Info

ID:

319488

PubChem CID:

126656320

Reduced:

OSN3H37C52 (1)

Stoich.:

ABC3D37E52 (1)

Weight, g/mol:

725.250084

ΔHf, kcal/mol:

218.92

Dipole, Da:

2.53

IP(EA), eV:

 -8.15(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-dibenzothiophen-4-yl-12-[8-methyl-4-(6-methyl-5,6-dihydronaphthalen-2-yl)-7,8-dihydroquinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)C1=CC=C(C=C1)C2=C3C=CCC(C3=NC(=N2)N4C5=CC=CC=C5C6=C(C=C7C8=CC=CC=C8OC7=C64)C9=CC=CC1=C9SC2=CC=CC=C12)C

DOS

IR

Vibrations