Geometry & MOs

Info

ID:	141426
PubChem CID:	52876530
Reduced:	FSO3N5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	409.162412
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	3.75
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-benzylpiperidin-3-yl]-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)C3=CN=C(S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations