Geometry & MOs

Info

ID:	371878
PubChem CID:	131276797
Reduced:	ClNSF2O3H4C9 (1)
Stoich.:	ABCD2E3F4G9 (1)
Weight, g/mol:	228.066555
ΔH_f, kcal/mol:	-148.12
Dipole, Da:	1.83
IP(EA), eV:	-11.15(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1R)-1-amino-2-methylpropyl]-2-chloropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1C(F)F)C#N)S(=O)(=O)Cl)C=O

DOS

IR

Vibrations