Geometry & MOs

Info

ID:	429950
PubChem CID:	135170005
Reduced:	OSI2N2H4C8 (1)
Stoich.:	ABC2D2E4F8 (1)
Weight, g/mol:	684.05712
ΔH_f, kcal/mol:	62.34
Dipole, Da:	4.04
IP(EA), eV:	-9.43(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1C(=CN2SI)I)C=O

DOS

IR

Vibrations