Geometry & MOs

Info

ID:	81680
PubChem CID:	49855004
Reduced:	FSN4O5H21C24 (1)
Stoich.:	ABC4D5E21F24 (1)
Weight, g/mol:	496.121669
ΔH_f, kcal/mol:	-107.77
Dipole, Da:	9.75
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-but-3-enoxy-N-(5-fluoro-1,3-thiazol-2-yl)-5-[4-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]phenoxy]benzamide

Drug info:

PubChemData

Smile

C=CCCOC1=CC(=C(C=C1)C(=O)NC2=NC=C(S2)F)OC3=CC=C(C=C3)C4=NN=C(O4)CCO

DOS

IR

Vibrations