Geometry & MOs

Info

ID:	327005
PubChem CID:	126688840
Reduced:	NSO4C7H15 (1)
Stoich.:	ABC4D7E15 (1)
Weight, g/mol:	209.072179
ΔH_f, kcal/mol:	-166.48
Dipole, Da:	5.02
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylazaniumyl)-1-oxopentane-3-sulfonate

Drug info:

PubChemData

Smile

CN(C)CCC(CC=O)S(=O)(=O)O

DOS

IR

Vibrations