Geometry & MOs

Info

ID:	317792
PubChem CID:	126645769
Reduced:	FSO2N5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	452.1139
ΔH_f, kcal/mol:	-40.32
Dipole, Da:	6.97
IP(EA), eV:	-8.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations