Geometry & MOs

Info

ID:	295667
PubChem CID:	117541870
Reduced:	BrSN2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	-3.21
Dipole, Da:	1.77
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4-(2-methylpropyl)pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations