Geometry & MOs

Info

ID:	81679
PubChem CID:	49855003
Reduced:	FSN4O5H23C25 (1)
Stoich.:	ABC4D5E23F25 (1)
Weight, g/mol:	496.121669
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	10.18
IP(EA), eV:	-8.87(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCC1=NN=C(O1)C2=CC=C(C=C2)OC3=C(C=CC(=C3)OCCC=C)C(=O)NC4=NC=C(S4)F

DOS

IR

Vibrations