Geometry & MOs

Info

ID:	243523
PubChem CID:	99226029
Reduced:	FSN3O4C17H24 (1)
Stoich.:	ABC3D4E17F24 (1)
Weight, g/mol:	423.141676
ΔH_f, kcal/mol:	-219.02
Dipole, Da:	3.66
IP(EA), eV:	-9.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4-fluoroanilino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)C(=O)NC[C@H](CC2=CC=C(C=C2)F)C(=O)N

DOS

IR

Vibrations