Geometry & MOs

Info

ID:	220730
PubChem CID:	85230790
Reduced:	ClN2O3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	225.020812
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	6.19
IP(EA), eV:	-10.25(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-azido-5-oxothiophen-2-ylidene)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC2=NN=C(C(=O)C21)C(=O)O)Cl

DOS

IR

Vibrations