Geometry & MOs

Info

ID:	154544
PubChem CID:	56314004
Reduced:	N3O3S3C23H27 (1)
Stoich.:	A3B3C3D23E27 (1)
Weight, g/mol:	470.185098
ΔH_f, kcal/mol:	-49.78
Dipole, Da:	1.95
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3CCCN(C3)CC4=CC=CS4

DOS

IR

Vibrations