Geometry & MOs

Info

ID:	24833
PubChem CID:	613859
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	9.33
IP(EA), eV:	-9.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-cyano-2-oxo-4-sulfanyl-3-azaspiro[5.5]undec-3-ene-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=NC(=O)C(C12CCCCC2)C#N)S

DOS

IR

Vibrations