Geometry & MOs

Info

ID:	31059
PubChem CID:	854333
Reduced:	O4H12C17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	5.78
IP(EA), eV:	-9.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

DOS

IR

Vibrations