Geometry & MOs

Info

ID:	77771
PubChem CID:	49658923
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	497.135546
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	8.44
IP(EA), eV:	-9.14(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2CC(=O)NCC3=CC(=CC=C3)OC)C(=O)N4CCCCC4

DOS

IR

Vibrations