Geometry & MOs

Info

ID:	202844
PubChem CID:	79733796
Reduced:	BrO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	365.00449
ΔH_f, kcal/mol:	-60.51
Dipole, Da:	7.69
IP(EA), eV:	-9.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-bromo-4-methylpyridin-2-yl)sulfamoyl-methylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)NC(=O)C2=C(NC=N2)C(=O)O

DOS

IR

Vibrations