Geometry & MOs

Info

ID:	318352
PubChem CID:	126650634
Reduced:	SF3N4O4H23C27 (1)
Stoich.:	AB3C4D4E23F27 (1)
Weight, g/mol:	267.91519
ΔH_f, kcal/mol:	-206.55
Dipole, Da:	5.18
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-4-methylphenol

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=CC=N5

DOS

IR

Vibrations