Geometry & MOs

Info

ID:	372499
PubChem CID:	131298811
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	266.049191
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	2.93
IP(EA), eV:	-9.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-oxo-6-(propylsulfanylmethyl)-1,3-diazinane-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2C1)O)C(C#N)O

DOS

IR

Vibrations