Geometry & MOs

Info

ID:	225669
PubChem CID:	87225342
Reduced:	NSO5C9H19 (1)
Stoich.:	ABC5D9E19 (1)
Weight, g/mol:	254.106219
ΔH_f, kcal/mol:	-213.13
Dipole, Da:	13.45
IP(EA), eV:	-9.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-carboxy-3-sulfopentan-2-yl)-trimethylazanium

Drug info:

PubChemData

Smile

CCC(C(C)(C(=O)[O-])[N+](C)(C)C)S(=O)(=O)O

DOS

IR

Vibrations