Geometry & MOs

Info

ID:	429813
PubChem CID:	135169866
Reduced:	ClOF3N9H13C19 (1)
Stoich.:	ABC3D9E13F19 (1)
Weight, g/mol:	658.12231
ΔH_f, kcal/mol:	1.13
Dipole, Da:	7.77
IP(EA), eV:	-9.1(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(methylcarbamoyl)-3-[4-morpholin-4-yl-3-(oxan-4-ylmethylamino)quinolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1=CN2C=CN=C(C2=C1)N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations