Geometry & MOs

Info

ID:	11684
PubChem CID:	119167
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	5.18
IP(EA), eV:	-9.35(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-(3-hydroxypyridin-2-yl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CSC(=N1)C2=C(C=CC=N2)O)C(=O)O

DOS

IR

Vibrations