Geometry & MOs

Info

ID:	318644
PubChem CID:	126652551
Reduced:	NSH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	696.169391
ΔH_f, kcal/mol:	232.51
Dipole, Da:	3.55
IP(EA), eV:	-8.09(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=C4C5=CC=CC=C5N6C7=CC=CC=C7C8=C6C9=C(C=C8)SC1=CC=CC=C19)C1=C(C=C3)SC2=CC=CC=C21

DOS

IR

Vibrations