Geometry & MOs

Info

ID:	124056
PubChem CID:	50871403
Reduced:	SN2O7C15H16 (1)
Stoich.:	AB2C7D15E16 (1)
Weight, g/mol:	434.093643
ΔH_f, kcal/mol:	-243.51
Dipole, Da:	5.04
IP(EA), eV:	-8.9(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C)OC)C(=O)N(C1=O)C

DOS

IR

Vibrations