Geometry & MOs

Info

ID:	225665
PubChem CID:	87225338
Reduced:	SN5O6C28H37 (1)
Stoich.:	AB5C6D28E37 (1)
Weight, g/mol:	259.087829
ΔH_f, kcal/mol:	-204.76
Dipole, Da:	7.87
IP(EA), eV:	-8.83(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enoxy)ethanesulfonate;pyridin-1-ium

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=C(C(=C1C2=C(N(C3=C(C=CC=C23)CN4CCNCC4)C)C(=O)O)NS(=O)(=O)C)OC)C(=O)N

DOS

IR

Vibrations