Geometry & MOs

Info

ID:	445059
PubChem CID:	135264406
Reduced:	SN3H17C24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	442.125218
ΔH_f, kcal/mol:	138.9
Dipole, Da:	2.52
IP(EA), eV:	-8.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,5-diphenyl-1,2,4-triazol-3-yl)thieno[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(=CC=N2)N3C4=CC=CC=C4C5=C3C=C6C=CSC6=C5

DOS

IR

Vibrations