Geometry & MOs

Info

ID:	246718
PubChem CID:	103064729
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	5.26
IP(EA), eV:	-8.64(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2CCSC2)NC

DOS

IR

Vibrations