Geometry & MOs

Info

ID:	225968
PubChem CID:	87246506
Reduced:	SN4O7C36H66 (1)
Stoich.:	AB4C7D36E66 (1)
Weight, g/mol:	698.465222
ΔH_f, kcal/mol:	-363.96
Dipole, Da:	10.51
IP(EA), eV:	-8.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-methylimidazol-3-ium;2,3-dioctyl-2-sulfobutanedioate

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C

DOS

IR

Vibrations