Geometry & MOs

Info

ID:	265101
PubChem CID:	103510456
Reduced:	FN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	279.067762
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	5.47
IP(EA), eV:	-9.53(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)NC2=CC(=C(C=C2)F)C(=O)O

DOS

IR

Vibrations