Geometry & MOs

Info

ID:	429864
PubChem CID:	135169917
Reduced:	IOSN6C23H23 (1)
Stoich.:	ABCD6E23F23 (1)
Weight, g/mol:	398.81741
ΔH_f, kcal/mol:	65.35
Dipole, Da:	6.1
IP(EA), eV:	-8.61(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-nitropyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC2=C3C=C(C=CC3=NC=C2N)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations