Geometry & MOs

Info

ID:

316406

PubChem CID:

126630873

Reduced:

S3N5H45C80 (1)

Stoich.:

A3B5C45D80 (1)

Weight, g/mol:

1169.293212

ΔHf, kcal/mol:

401.81

Dipole, Da:

2.0

IP(EA), eV:

 -8.11(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-7-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC6=C(C=C5)N=C(N=C6C7=CC(=CC=C7)N8C9=C(C1=CC=CC=C18)C1=C(C=C9)SC2=CC=CC=C21)C1=CC=C(C=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)SC2=CC=CC=C21)C=CC1=C3C2=CC=CC=C2S1

DOS

IR

Vibrations