Geometry & MOs

Info

ID:	195226
PubChem CID:	78660632
Reduced:	FSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	367.146681
ΔH_f, kcal/mol:	-44.16
Dipole, Da:	4.56
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylpiperazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(CSC2=NN=C(N2C)C3=CC=CC=C3F)O

DOS

IR

Vibrations