Geometry & MOs

Info

ID:	372703
PubChem CID:	131302884
Reduced:	SO2N3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	62.96
Dipole, Da:	6.33
IP(EA), eV:	-9.91(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NOC(=C1C#N)C2=CSC=N2

DOS

IR

Vibrations