Geometry & MOs

Info

ID:	317712
PubChem CID:	126645327
Reduced:	NaN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	356.104208
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	9.66
IP(EA), eV:	-7.67(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,1-dihydroxythian-4-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)N(CCC2)C3=CC(=CC=C3)N4CC(C4)C(=O)[O-].[Na+]

DOS

IR

Vibrations