Geometry & MOs

Info

ID:	318645
PubChem CID:	126652552
Reduced:	NSH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	696.169391
ΔH_f, kcal/mol:	229.68
Dipole, Da:	2.3
IP(EA), eV:	-8.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-([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=C3C6=C(C=C5)SC7=CC=CC=C76)N8C9=CC=CC=C9C1=C8C2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations