Geometry & MOs

Info

ID:	310429
PubChem CID:	126580252
Reduced:	N3H21C32 (1)
Stoich.:	A3B21C32 (1)
Weight, g/mol:	610.128589
ΔH_f, kcal/mol:	170.85
Dipole, Da:	3.21
IP(EA), eV:	-8.25(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=NC6=CC=CC=C6C(=N5)C7=CC=CC=C7

DOS

IR

Vibrations