Geometry & MOs

Info

ID:	429807
PubChem CID:	135169860
Reduced:	N2O2F3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	581.05464
ΔH_f, kcal/mol:	-181.58
Dipole, Da:	5.51
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-5-[[methyl(prop-2-enyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=CC=CC2=CC=CC=C21)C(F)(F)F

DOS

IR

Vibrations