Geometry & MOs

Info

ID:	377376
PubChem CID:	134223426
Reduced:	NSH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	680.192235
ΔH_f, kcal/mol:	217.74
Dipole, Da:	2.47
IP(EA), eV:	-8.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)SC6=C5C=C7C8=CC=CC=C8N(C7=C6)C9=CC=CC=C9)C1=C2C=C2C(=C1)C1=CC=CC=C1S2

DOS

IR

Vibrations