Geometry & MOs

Info

ID:	429863
PubChem CID:	135169916
Reduced:	ClOF3N8H20C22 (1)
Stoich.:	ABC3D8E20F22 (1)
Weight, g/mol:	558.06988
ΔH_f, kcal/mol:	-11.21
Dipole, Da:	6.51
IP(EA), eV:	-8.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(1-acetylpiperidin-4-yl)amino]-3-aminoquinolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC=C/C=N\N1C=C(C=C(C=N1)NC(=O)/C(=C/N)/C(=N/C2=CC=CC3=NC(=CN32)C)/C(F)(F)F)Cl

DOS

IR

Vibrations