Geometry & MOs

Info

ID:	283103
PubChem CID:	103958409
Reduced:	FNO4H22C25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	311.153286
ΔH_f, kcal/mol:	-147.68
Dipole, Da:	5.14
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1F)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations