Geometry & MOs

Info

ID:	177966
PubChem CID:	76259076
Reduced:	N2O5H22C26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	418.098728
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	4.91
IP(EA), eV:	-8.79(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CO2)COC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=N4

DOS

IR

Vibrations