Geometry & MOs

Info

ID:	154712
PubChem CID:	56314219
Reduced:	S2O3N4C22H24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	464.228677
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	5.31
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

DOS

IR

Vibrations