Geometry & MOs

Info

ID:	153897
PubChem CID:	56313232
Reduced:	N2S2O4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	465.187541
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	6.18
IP(EA), eV:	-8.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=COC=C3

DOS

IR

Vibrations