Geometry & MOs

Info

ID:	329190
PubChem CID:	126731728
Reduced:	OSF3N5H20C24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	4.37
IP(EA), eV:	-8.8(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-(2-methylpropanoylamino)propanoyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=CC(=C4F)NSC5=CC=CC=C5F)F

DOS

IR

Vibrations