Geometry & MOs

Info

ID:	374048
PubChem CID:	131323015
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-62.37
Dipole, Da:	4.82
IP(EA), eV:	-9.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC(N1C2=CC=C(S2)C#N)C(=O)O

DOS

IR

Vibrations