Geometry & MOs

Info

ID:	15892
PubChem CID:	454578
Reduced:	NS2O10C20H25 (1)
Stoich.:	AB2C10D20E25 (1)
Weight, g/mol:	503.091988
ΔH_f, kcal/mol:	-411.22
Dipole, Da:	5.96
IP(EA), eV:	-9.33(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-10-oxodecanoic acid

Drug info:

PubChemData

Smile

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCCCCCCCC(=O)O)O)S(=O)(=O)O

DOS

IR

Vibrations