Geometry & MOs

Info

ID:	339596
PubChem CID:	127261586
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	449.184803
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	3.81
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-hexanoyloxy-3-(nonanoylamino)benzenesulfonate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC1=CC=CC=C1NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations