Geometry & MOs

Info

ID:	339597
PubChem CID:	127261587
Reduced:	NNaSO6C21H32 (1)
Stoich.:	ABCD6E21F32 (1)
Weight, g/mol:	427.202859
ΔH_f, kcal/mol:	-228.12
Dipole, Da:	42.27
IP(EA), eV:	-7.89(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexanoyloxy-3-(nonanoylamino)benzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)[O-])OC(=O)CCCCC.[Na+]

DOS

IR

Vibrations