Geometry & MOs

Info

ID:	262383
PubChem CID:	103289644
Reduced:	O2F4H6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	313.090328
ΔH_f, kcal/mol:	-223.43
Dipole, Da:	2.41
IP(EA), eV:	-9.79(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1F)F)OCCC=O)F)F

DOS

IR

Vibrations