Geometry & MOs

Info

ID:	230484
PubChem CID:	87571027
Reduced:	N2S2O4H18C21 (1)
Stoich.:	A2B2C4D18E21 (1)
Weight, g/mol:	392.131234
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	4.71
IP(EA), eV:	-9.09(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroperoxyboronic acid;2-nonanoyloxybenzenesulfonic acid

Drug info:

PubChemData

Smile

CN1C(COC1=O)CC2=CC=C(C=C2)OC3=CC=C(C=C3)/C=C\4/C(=O)NC(=S)S4

DOS

IR

Vibrations