Geometry & MOs

Info

ID:	268266
PubChem CID:	103598638
Reduced:	ClSO2N4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-8.49
Dipole, Da:	7.54
IP(EA), eV:	-8.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(propan-2-yloxymethyl)phenyl]-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CON=C(CC2=CSC(=N2)C)N

DOS

IR

Vibrations