Geometry & MOs

Info

ID:	132656
PubChem CID:	51393726
Reduced:	N2O3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	494.036076
ΔH_f, kcal/mol:	-50.82
Dipole, Da:	6.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.170076
Charge, e:	-1

Chem-info

IUPAC name:

2,6-dichloro-4-[di(propan-2-yloxy)phosphoryl-(4-methylphenyl)sulfonylamino]phenolate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=[NH+]CCN2CC3=CC=CC=C3C2=O)OC

DOS

IR

Vibrations