Geometry & MOs

Info

ID:	225666
PubChem CID:	87225339
Reduced:	NSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	272.059269
ΔH_f, kcal/mol:	-140.13
Dipole, Da:	5.45
IP(EA), eV:	-9.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-pyridin-1-ium-1-yloxysulfonylethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)COCCS(=O)(=O)[O-].C1=CC=[NH+]C=C1

DOS

IR

Vibrations