Geometry & MOs

Info

ID:	291981
PubChem CID:	114000048
Reduced:	SN2O5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	5.88
IP(EA), eV:	-10.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-(2-cyano-5-methylphenyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CS(=O)(=O)CC1=CN=CC=C1)C(=O)O

DOS

IR

Vibrations