Geometry & MOs

Info

ID:	31060
PubChem CID:	854334
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-139.68
Dipole, Da:	4.33
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-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