Geometry & MOs

Info

ID:	291979
PubChem CID:	114000015
Reduced:	NSF2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	288.033541
ΔH_f, kcal/mol:	-212.1
Dipole, Da:	4.44
IP(EA), eV:	-9.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-[(2-chloropyridin-4-yl)methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSCC1=C(C=C(C=C1)F)F)C(=O)O

DOS

IR

Vibrations