Geometry & MOs

Info

ID:	81589
PubChem CID:	49854894
Reduced:	FSN4O4H19C23 (1)
Stoich.:	ABC4D4E19F23 (1)
Weight, g/mol:	480.126755
ΔH_f, kcal/mol:	-62.65
Dipole, Da:	10.05
IP(EA), eV:	-8.85(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=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