Geometry & MOs

Info

ID:	185896
PubChem CID:	77366387
Reduced:	Br4H4C5O5 (1)
Stoich.:	A4B4C5D5 (1)
Weight, g/mol:	643.14163
ΔH_f, kcal/mol:	-185.77
Dipole, Da:	3.14
IP(EA), eV:	-10.85(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-3-(2-chloro-2-methyl-10-nitro-5-oxo-1,4,4a,6-tetrahydro-[1,4]oxazino[4,3-a]quinoxalin-9-yl)-6-hydroxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1(=O)C(C(C(O1)(C(O)Br)Br)(O)Br)(O)Br

DOS

IR

Vibrations