Geometry & MOs

Info

ID:	283168
PubChem CID:	103962116
Reduced:	BrN4O4C7H7 (1)
Stoich.:	AB4C4D7E7 (1)
Weight, g/mol:	305.96738
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	7.84
IP(EA), eV:	-10.12(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(2-methyl-3-sulfanylpropyl)-5-nitropyridin-4-one

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=CN1CC(=O)NN)Br)[N+](=O)[O-]

DOS

IR

Vibrations