Geometry & MOs

Info

ID:	292208
PubChem CID:	114469536
Reduced:	ClSN2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	4.54
IP(EA), eV:	-9.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylprop-2-enoxy)ethyl]-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)COCCNS(=O)(=O)C1=CNC(=O)C(=C1)Cl

DOS

IR

Vibrations