Geometry & MOs

Info

ID:	207156
PubChem CID:	80354615
Reduced:	NSO2F3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	260.038627
ΔH_f, kcal/mol:	-221.68
Dipole, Da:	5.74
IP(EA), eV:	-9.08(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[2-(dimethylamino)ethylsulfanyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCSC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

DOS

IR

Vibrations