Geometry & MOs

Info

ID:	271704
PubChem CID:	103689352
Reduced:	OSN2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	197.085207
ΔH_f, kcal/mol:	8.48
Dipole, Da:	1.96
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=CN=CNC2=O

DOS

IR

Vibrations