Geometry & MOs

Info

ID:	81823
PubChem CID:	49855213
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	418.047087
ΔH_f, kcal/mol:	-176.06
Dipole, Da:	5.78
IP(EA), eV:	-9.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]naphthalen-2-yl]oxyacetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3CCCO3

DOS

IR

Vibrations