Geometry & MOs

Info

ID:	246730
PubChem CID:	103064747
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	3.71
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-6-propyl-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CCSC2

DOS

IR

Vibrations