Geometry & MOs

Info

ID:	85106
PubChem CID:	49871797
Reduced:	ClSO2N5H24C30 (1)
Stoich.:	ABC2D5E24F30 (1)
Weight, g/mol:	246.917003
ΔH_f, kcal/mol:	58.79
Dipole, Da:	7.12
IP(EA), eV:	-9.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-3-[chloro(difluoro)methoxy]pyridine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC(=C3)C4=CC=C(C=C4)Cl)N5C(SCC5=O)C6=CC=CC=C6O

DOS

IR

Vibrations