Geometry & MOs

Info

ID:	291978
PubChem CID:	114000006
Reduced:	ClSN3O3C10H14 (1)
Stoich.:	ABC3D3E10F14 (1)
Weight, g/mol:	289.058421
ΔH_f, kcal/mol:	-109.93
Dipole, Da:	6.45
IP(EA), eV:	-9.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-[(2,4-difluorophenyl)methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSCC1=NC=C(N1C)Cl)C(=O)O

DOS

IR

Vibrations