Geometry & MOs

Info

ID:	282429
PubChem CID:	103926500
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	313.114793
ΔH_f, kcal/mol:	-212.4
Dipole, Da:	5.05
IP(EA), eV:	-8.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)C1=C(C(=CC=C1)OC)O

DOS

IR

Vibrations