Geometry & MOs

Info

ID:	309951
PubChem CID:	126569750
Reduced:	NC4H4 (6)
Stoich.:	AB4C4 (6)
Weight, g/mol:	319.105371
ΔH_f, kcal/mol:	97.9
Dipole, Da:	0.83
IP(EA), eV:	-8.36(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(tert-butylsulfinylamino)-4-fluoro-3-(2-fluorophenyl)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C(C(=C(C(=C2N)NC3=CC=CC=C3)N)NC4=CC=CC=C4)N

DOS

IR

Vibrations