Geometry & MOs

Info

ID:	429967
PubChem CID:	135170022
Reduced:	BrON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	534.87123
ΔH_f, kcal/mol:	71.02
Dipole, Da:	5.21
IP(EA), eV:	-8.87(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(benzylcarbamoyl)-3-iodopyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C2=C3C=C(C=CC3=NC=C2N=O)Br

DOS

IR

Vibrations