Geometry & MOs

Info

ID:	315705
PubChem CID:	126628594
Reduced:	NH16C24 (2)
Stoich.:	AB16C24 (2)
Weight, g/mol:	696.169391
ΔH_f, kcal/mol:	210.15
Dipole, Da:	0.7
IP(EA), eV:	-8.13(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=C(C=CC=C53)C6=C7C8=CC=CC=C8N(C7=CC=C6)C9=CC=CC(=C9)C1=CC=CC=C1

DOS

IR

Vibrations