Geometry & MOs

Info

ID:	81491
PubChem CID:	49854784
Reduced:	FSN4O5H21C23 (1)
Stoich.:	ABC4D5E21F23 (1)
Weight, g/mol:	452.095454
ΔH_f, kcal/mol:	-124.17
Dipole, Da:	7.7
IP(EA), eV:	-8.85(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)OC3=C(C=CC(=C3)O[C@@H](C)COC)C(=O)NC4=NC=C(S4)F

DOS

IR

Vibrations