Geometry & MOs

Info

ID:

442515

PubChem CID:

135252598

Reduced:

N7H51C78 (1)

Stoich.:

A7B51C78 (1)

Weight, g/mol:

884.293346

ΔHf, kcal/mol:

393.84

Dipole, Da:

4.36

IP(EA), eV:

 -7.81(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-5-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]sulfonylphenyl]pyrido[4,3-b]indol-8-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC(=CC(=C9)N1C=NC2=C1C1=CC=CC=C1C1=CC=CC=C12)N1C=NC2=C1C1=CC=CC=C1C1=CC=CC=C12

DOS

IR

Vibrations