Geometry & MOs

Info

ID:	31061
PubChem CID:	854335
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-138.11
Dipole, Da:	5.71
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2N[C@H](CS2)C(=O)O)O

DOS

IR

Vibrations