Geometry & MOs

Info

ID:	279013
PubChem CID:	103840472
Reduced:	ClFNO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	297.137636
ΔH_f, kcal/mol:	-239.11
Dipole, Da:	1.95
IP(EA), eV:	-9.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(5-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=C(C=C(C=C1)Cl)F

DOS

IR

Vibrations