Geometry & MOs

Info

ID:	175653
PubChem CID:	75931440
Reduced:	SF2N2O4C19H22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-225.13
Dipole, Da:	6.88
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide

Drug info:

PubChemData

Smile

CC(COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations