Geometry & MOs

Info

ID:	208548
PubChem CID:	80542547
Reduced:	ClSF3N3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-111.5
Dipole, Da:	6.05
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-methylbutanoyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(F)(F)F)NC2=CC(=NC(=N2)SC)Cl

DOS

IR

Vibrations