Geometry & MOs

Info

ID:	316548
PubChem CID:	126631214
Reduced:	N2H32C45 (1)
Stoich.:	A2B32C45 (1)
Weight, g/mol:	942.194561
ΔH_f, kcal/mol:	189.67
Dipole, Da:	2.98
IP(EA), eV:	-8.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)quinolin-7-yl]-[1]benzothiolo[3,2-b]carbazole

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C6=CC=CC=C6C7=CC=CC=C75)C8=CC=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations