Geometry & MOs

Info

ID:	374049
PubChem CID:	131323018
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	10.57
IP(EA), eV:	-8.73(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C2=CSC=N2)C(=O)O)O

DOS

IR

Vibrations