Geometry & MOs

Info

ID:	437832
PubChem CID:	135227118
Reduced:	ISF2O2N4H17C24 (1)
Stoich.:	ABC2D2E4F17G24 (1)
Weight, g/mol:	579.0875
ΔH_f, kcal/mol:	32.74
Dipole, Da:	5.28
IP(EA), eV:	-8.22(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-cyclopropylsulfanyl-2-[(4-methylcyclohexyl)amino]phenyl]-2,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)N(C=C2)I)C3=C(C=CC(=C3)S(=N)C4(CC4)C#N)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations