Geometry & MOs

Info

ID:	230399
PubChem CID:	87570794
Reduced:	FN2Cl3O4C14H14 (1)
Stoich.:	AB2C3D4E14F14 (1)
Weight, g/mol:	516.232575
ΔH_f, kcal/mol:	-163.2
Dipole, Da:	0.79
IP(EA), eV:	-9.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1F)C2C/C(=N/O)/C(C(N2)C(=O)OC)(Cl)Cl)Cl

DOS

IR

Vibrations