Geometry & MOs

Info

ID:	81590
PubChem CID:	49854895
Reduced:	FSN4O4H21C24 (1)
Stoich.:	ABC4D4E21F24 (1)
Weight, g/mol:	494.142405
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	10.54
IP(EA), eV:	-8.88(-1.46)
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-propan-2-yl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide

Drug info:

PubChemData

Smile

CCC1=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