Geometry & MOs

Info

ID:	246697
PubChem CID:	103064654
Reduced:	ClO2S2N3C12H18 (1)
Stoich.:	AB2C2D3E12F18 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	7.08
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(ethylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=C(C=C(C=N1)S(=O)(=O)NC2CCSC2)Cl

DOS

IR

Vibrations