Geometry & MOs

Info

ID:	429949
PubChem CID:	135170004
Reduced:	OF3N7H20C25 (1)
Stoich.:	AB3C7D20E25 (1)
Weight, g/mol:	429.81338
ΔH_f, kcal/mol:	-60.46
Dipole, Da:	8.06
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)/C(=C/N)/C(=NC2=CC=CC3=C2C=NC=C3)C(F)(F)F)C4=NC(=NC=C4)N

DOS

IR

Vibrations