Geometry & MOs

Info

ID:	183804
PubChem CID:	77071991
Reduced:	SN2O6C8H12 (1)
Stoich.:	AB2C6D8E12 (1)
Weight, g/mol:	298.00654
ΔH_f, kcal/mol:	-229.01
Dipole, Da:	3.41
IP(EA), eV:	-10.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-aminopyridin-3-yl)methyl]-5-bromo-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C#N)S(=O)(=O)NC(CC(=O)OC)C(=O)O

DOS

IR

Vibrations