Geometry & MOs

Info

ID:	436046
PubChem CID:	135193533
Reduced:	BrS2O4C12H17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	294.004349
ΔH_f, kcal/mol:	-144.79
Dipole, Da:	4.21
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-8-methylperoxychromeno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(CO)COSC1=C(C=C(C=C1)S(=O)O)CBr

DOS

IR

Vibrations