Geometry & MOs

Info

ID:	202843
PubChem CID:	79733795
Reduced:	SBr2O2N3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	323.9858
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	6.23
IP(EA), eV:	-9.17(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-4-methylpyridin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)NS(=O)(=O)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations