Geometry & MOs

Info

ID:	268425
PubChem CID:	103599329
Reduced:	SO2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	11.14
Dipole, Da:	5.19
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxy-3-methoxyphenyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CN=CC=C2)NC(=O)C=CC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations