Geometry & MOs

Info

ID:	167695
PubChem CID:	74859084
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	401.073322
ΔH_f, kcal/mol:	-110.19
Dipole, Da:	2.57
IP(EA), eV:	-9.3(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(3-fluoroanilino)-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=NC(=NC2=O)CN(CC(C)O)C3CC3)S1)C

DOS

IR

Vibrations