Geometry & MOs

Info

ID:	317776
PubChem CID:	126645731
Reduced:	ClN3O4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	350.046963
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	5.85
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-fluorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC12CN(C3=CC=CC=C23)C(=O)C4CN(C5=C(O4)C=CC(=C5)C(=O)NO)CC6=CC=CC=C6.Cl

DOS

IR

Vibrations