Geometry & MOs

Info

ID:	43731
PubChem CID:	10321713
Reduced:	SCl4F4H4N4C12 (1)
Stoich.:	AB4C4D4E4F12 (1)
Weight, g/mol:	452.92965
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	6.45
IP(EA), eV:	-9.86(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-chloro-4-iodopyridin-3-yl)-5,6-dihydrobenzo[c][2,7]naphthyridine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)SC(F)(Cl)Cl)N)Cl)C(F)(F)F

DOS

IR

Vibrations