Geometry & MOs

Info

ID:	432168
PubChem CID:	135172300
Reduced:	NOSC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	160.019415
ΔH_f, kcal/mol:	4.18
Dipole, Da:	4.61
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxothiane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(=O)C(C=CCS1)C#N

DOS

IR

Vibrations