Geometry & MOs

Info

ID:	295671
PubChem CID:	117541935
Reduced:	SO2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	255.98474
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	4.89
IP(EA), eV:	-8.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=C(C=N2)N)CC3=CC=CS3

DOS

IR

Vibrations