Geometry & MOs

Info

ID:	429960
PubChem CID:	135170015
Reduced:	O5C7H14 (1)
Stoich.:	A5B7C14 (1)
Weight, g/mol:	551.96838
ΔH_f, kcal/mol:	-211.99
Dipole, Da:	2.21
IP(EA), eV:	-9.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chloro-8-fluoroquinolin-6-yl)-5-[methyl(prop-2-enyl)carbamoyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

COCC(COC)OC(=O)OC

DOS

IR

Vibrations