Geometry & MOs

Info

ID:	275450
PubChem CID:	103816060
Reduced:	BrSN3O4H10C12 (1)
Stoich.:	ABC3D4E10F12 (1)
Weight, g/mol:	351.96296
ΔH_f, kcal/mol:	-36.66
Dipole, Da:	0.83
IP(EA), eV:	-9.51(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(N=CC=C2)Br

DOS

IR

Vibrations