Geometry & MOs

Info

ID:	81820
PubChem CID:	49855207
Reduced:	ClSN3O4H12C18 (1)
Stoich.:	ABC3D4E12F18 (1)
Weight, g/mol:	415.108959
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	6.79
IP(EA), eV:	-9.52(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations