Geometry & MOs

Info

ID:	240941
PubChem CID:	93618327
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	-112.69
Dipole, Da:	4.47
IP(EA), eV:	-9.79(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OCCNC(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations