Geometry & MOs

Info

ID:	173335
PubChem CID:	75624660
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	3.8
Dipole, Da:	8.75
IP(EA), eV:	-8.61(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxypyridin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCSC2=NNC(=C3C=NC4=CC=CC=C43)O2

DOS

IR

Vibrations