Geometry & MOs

Info

ID:	429929
PubChem CID:	135169984
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	458.83993
ΔH_f, kcal/mol:	-38.23
Dipole, Da:	5.61
IP(EA), eV:	-8.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-iodo-5-(methylcarbamoyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=CC=C(N2NC1)C)Br

DOS

IR

Vibrations