Geometry & MOs

Info

ID:	200981
PubChem CID:	79469775
Reduced:	NOSC6H11 (2)
Stoich.:	ABCD6E11 (2)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-80.4
Dipole, Da:	2.9
IP(EA), eV:	-9.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-ethyl-N-(2-methylbutyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CN(CC)S(=O)(=O)C1=C(SC=C1)CN

DOS

IR

Vibrations