Geometry & MOs

Info

ID:

13894

PubChem CID:

399652

Reduced:

N5O6H39C54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

853.290034

ΔHf, kcal/mol:

-51.61

Dipole, Da:

6.06

IP(EA), eV:

 -8.09(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-benzoyl-2-[4-[4-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)anilino]phenyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione

Drug info:

PubChemData

Smile

C1C2C(CC3=C1C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)C(=O)N(C2=O)C6=CC=C(C=C6)NC7=CC=C(C=C7)N8C(=O)C9CC1=C(CC9C8=O)N(C2=CC=CC=C12)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations