Geometry & MOs

Info

ID:	240942
PubChem CID:	93618333
Reduced:	SN2O4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	-174.38
Dipole, Da:	6.26
IP(EA), eV:	-9.29(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-[[(2S)-1-methoxypropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](COC)NC(=O)N1CSC[C@@H]1C(=O)O

DOS

IR

Vibrations