Geometry & MOs

Info

ID:

316398

PubChem CID:

126630861

Reduced:

S3N5H43C76 (1)

Stoich.:

A3B5C43D76 (1)

Weight, g/mol:

1171.28371

ΔHf, kcal/mol:

385.54

Dipole, Da:

5.53

IP(EA), eV:

 -7.95(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[3-[2,4-bis[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=CC(=NC(=N5)C6=CC(=CC=C6)N7C8=C(C9=CC=CC=C97)C1=C(C=C8)SC2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)SC2=CC=CC=C21)C=CC1=C3C2=CC=CC=C2S1

DOS

IR

Vibrations