Geometry & MOs

Info

ID:	202787
PubChem CID:	79726384
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	293.035794
ΔH_f, kcal/mol:	-62.69
Dipole, Da:	7.2
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-hydroxy-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2)N)O

DOS

IR

Vibrations