Geometry & MOs

Info

ID:	155516
PubChem CID:	56365852
Reduced:	ClSF2N2O5H11C16 (1)
Stoich.:	ABC2D2E5F11G16 (1)
Weight, g/mol:	381.931273
ΔH_f, kcal/mol:	-186.23
Dipole, Da:	5.79
IP(EA), eV:	-9.7(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations