Geometry & MOs

Info

ID:	268133
PubChem CID:	103598001
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-32.92
Dipole, Da:	4.04
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(2-ethoxyphenoxy)pyridin-3-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCOCC1=CC=CC=C1CNC(=O)C=CC2=CSC(=N2)C

DOS

IR

Vibrations