Geometry & MOs

Info

ID:	229957
PubChem CID:	87569640
Reduced:	OF3N3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	494.191853
ΔH_f, kcal/mol:	-163.45
Dipole, Da:	5.47
IP(EA), eV:	-9.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(3R)-3-[4-[(3-fluoro-2-oxo-1-thiophen-3-ylpropyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=C(C(=C(C=C1)F)F)F)(N)NC(=O)N

DOS

IR

Vibrations