Geometry & MOs

Info

ID:	203203
PubChem CID:	79792099
Reduced:	NO3F4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	276.077993
ΔH_f, kcal/mol:	-296.91
Dipole, Da:	4.52
IP(EA), eV:	-10.48(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)C1=CC(=C(C(=C1F)F)F)F

DOS

IR

Vibrations