Geometry & MOs

Info

ID:	372712
PubChem CID:	131303101
Reduced:	NSF3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	224.025563
ΔH_f, kcal/mol:	-142.87
Dipole, Da:	3.48
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C2=C(C=CS2)C(F)(F)F

DOS

IR

Vibrations