Geometry & MOs

Info

ID:	429318
PubChem CID:	135169287
Reduced:	FIOSN5H19C29 (1)
Stoich.:	ABCDE5F19G29 (1)
Weight, g/mol:	532.02301
ΔH_f, kcal/mol:	94.75
Dipole, Da:	3.86
IP(EA), eV:	-9.28(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-fluoro-4-piperidin-1-ylquinolin-6-yl)-5-formylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C2)N(C=C3C4=CC5=C(C=CN=C5C(=C4)F)C6=CN=CC=C6)SI

DOS

IR

Vibrations