Geometry & MOs

Info

ID:	253205
PubChem CID:	103116784
Reduced:	N3O5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	279.067762
ΔH_f, kcal/mol:	-153.64
Dipole, Da:	6.5
IP(EA), eV:	-9.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-[(1-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C[C@@H](C(=O)O)NC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations