Geometry & MOs

Info

ID:	80648
PubChem CID:	49835733
Reduced:	SCl2F2N2O4H20C23 (1)
Stoich.:	AB2C2D2E4F20G23 (1)
Weight, g/mol:	600.81909
ΔH_f, kcal/mol:	-176.43
Dipole, Da:	3.52
IP(EA), eV:	-10.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1',4,5,5',6,7-hexachloro-6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)oxyphosphonamidous acid

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)[C@@H]2C[C@H](C[C@H]2OCC3=C(C=C(C=C3F)Cl)F)S(=O)(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations