Geometry & MOs

Info

ID:	11138
PubChem CID:	111453
Reduced:	NSNa2O7C22H41 (1)
Stoich.:	ABC2D7E22F41 (1)
Weight, g/mol:	509.239912
ΔH_f, kcal/mol:	-401.84
Dipole, Da:	29.19
IP(EA), eV:	-8.47(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;4-oxo-4-(3-pentadecoxypropylamino)-3-sulfonatobutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCOCCCNC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations