Geometry & MOs

Info

ID:

316412

PubChem CID:

126630880

Reduced:

S3N5H45C80 (1)

Stoich.:

A3B5C45D80 (1)

Weight, g/mol:

1122.263309

ΔHf, kcal/mol:

515.19

Dipole, Da:

3.2

IP(EA), eV:

 -8.22(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[4,6-bis[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-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)C2=CC=CC=C2S1)C1=CC(=CC=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)C2=CC=CC=C2S1)C=CC1=C3SC2=CC=CC=C12

DOS

IR

Vibrations