Geometry & MOs

Info

ID:

442504

PubChem CID:

135252495

Reduced:

O2N9H41C65 (1)

Stoich.:

A2B9C41D65 (1)

Weight, g/mol:

978.343073

ΔHf, kcal/mol:

327.67

Dipole, Da:

3.37

IP(EA), eV:

 -8.09(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-5-[4-[2-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenyl]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=NC=C5)C6=CC=C(C=C6)C7=NC8=CC9=C(N=C8O7)OC(=N9)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=CN=C2

DOS

IR

Vibrations