Geometry & MOs

Info

ID:	429319
PubChem CID:	135169288
Reduced:	FIOSN4H18C22 (1)
Stoich.:	ABCDE4F18G22 (1)
Weight, g/mol:	533.97781
ΔH_f, kcal/mol:	38.98
Dipole, Da:	7.82
IP(EA), eV:	-8.96(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C3C=C(C=C(C3=NC=C2)F)C4=CN(C5=C4C=C(C=N5)C=O)SI

DOS

IR

Vibrations