Geometry & MOs

Info

ID:	12088
PubChem CID:	129916
Reduced:	FNO4C9H10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	215.059386
ΔH_f, kcal/mol:	-199.29
Dipole, Da:	2.08
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C[C@@H](C(=O)O)N)F)O)O

DOS

IR

Vibrations