Geometry & MOs

Info

ID:	429973
PubChem CID:	135170028
Reduced:	ClFIOSN4H11C18 (1)
Stoich.:	ABCDEF4G11H18 (1)
Weight, g/mol:	602.05971
ΔH_f, kcal/mol:	19.18
Dipole, Da:	6.08
IP(EA), eV:	-8.98(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-acetamido-4-morpholin-4-ylquinolin-6-yl)-5-(methylcarbamoyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C(=C3)F)Cl)SI

DOS

IR

Vibrations