Geometry & MOs

Info

ID:	130927
PubChem CID:	51130545
Reduced:	F2N2S2O4H16C17 (1)
Stoich.:	A2B2C2D4E16F17 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-202.07
Dipole, Da:	5.93
IP(EA), eV:	-8.62(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

C1CSCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)F)F)C(=O)O

DOS

IR

Vibrations