Geometry & MOs

Info

ID:	429830
PubChem CID:	135169883
Reduced:	F3N7C28H28 (1)
Stoich.:	A3B7C28D28 (1)
Weight, g/mol:	445.80829
ΔH_f, kcal/mol:	26.88
Dipole, Da:	4.7
IP(EA), eV:	-8.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-1-iodosulfanylpyrrolo[2,3-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N(C)/N=C\C=C)NC(=C)/C(=C/N)/C(=NC2=CC=CC3=C2C=CC(=N3)CC=C)C(F)(F)F

DOS

IR

Vibrations