Geometry & MOs

Info

ID:	268288
PubChem CID:	103598763
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	18.14
Dipole, Da:	4.92
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3

DOS

IR

Vibrations