Geometry & MOs

Info

ID:	156694
PubChem CID:	56371763
Reduced:	N3S3O6C15H19 (1)
Stoich.:	A3B3C6D15E19 (1)
Weight, g/mol:	425.149932
ΔH_f, kcal/mol:	-187.82
Dipole, Da:	5.82
IP(EA), eV:	-9.64(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCOC

DOS

IR

Vibrations