Geometry & MOs

Info

ID:	81821
PubChem CID:	49855209
Reduced:	NSO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	417.088223
ΔH_f, kcal/mol:	-196.85
Dipole, Da:	10.53
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)OCC(=O)O)C

DOS

IR

Vibrations