Geometry & MOs

Info

ID:	137574
PubChem CID:	52229184
Reduced:	BrFON3H9C15 (1)
Stoich.:	ABCD3E9F15 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	3.85
Dipole, Da:	4.27
IP(EA), eV:	-9.32(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations