Geometry & MOs

Info

ID:	324767
PubChem CID:	126678296
Reduced:	BrNOH8C12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	373.143333
ΔH_f, kcal/mol:	73.63
Dipole, Da:	3.93
IP(EA), eV:	-9.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[6-(hydroxycarbamoyl)-3-oxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-4-yl]methyl]cyclohexane-1-sulfinate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)Br)N=O

DOS

IR

Vibrations