Geometry & MOs

Info

ID:	282439
PubChem CID:	103927027
Reduced:	BrFNSO4C12H15 (1)
Stoich.:	ABCDE4F12G15 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-207.4
Dipole, Da:	4.55
IP(EA), eV:	-9.47(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations