Geometry & MOs

Info

ID:	287369
PubChem CID:	104239419
Reduced:	N2S2O4H10C11 (1)
Stoich.:	A2B2C4D10E11 (1)
Weight, g/mol:	224.025563
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	8.5
IP(EA), eV:	-9.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)C2=CSC(=N2)CS(=O)(=O)N

DOS

IR

Vibrations