Geometry & MOs

Info

ID:	408349
PubChem CID:	135081115
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	210.105608
ΔH_f, kcal/mol:	-97.03
Dipole, Da:	5.57
IP(EA), eV:	-10.17(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-4-fluoro-2-methyl-3-phenylbutanoate

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)NCC=C)O

DOS

IR

Vibrations