Geometry & MOs

Info

ID:	229561
PubChem CID:	87568025
Reduced:	NSO5C11H23 (1)
Stoich.:	ABC5D11E23 (1)
Weight, g/mol:	264.126954
ΔH_f, kcal/mol:	-212.04
Dipole, Da:	6.12
IP(EA), eV:	-9.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4,6-dimethyl-5-oxohept-6-en-3-yl)-dimethyl-sulfoazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations