Geometry & MOs

Info

ID:	231929
PubChem CID:	87574938
Reduced:	SF3O3N4H15C21 (1)
Stoich.:	AB3C3D4E15F21 (1)
Weight, g/mol:	583.152555
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	3.91
IP(EA), eV:	-8.96(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-5-(2-sulfamoylnaphthalen-1-yl)phenoxy]benzenecarboximidamide

Drug info:

PubChemData

Smile

C1C=C(C(N1C=O)C2=C(N3C=C(C=C(C3=N2)C(F)(F)F)C4=COC=C4)CO)C5=NC=CS5

DOS

IR

Vibrations