Geometry & MOs

Info

ID:	145069
PubChem CID:	53455868
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	464.137908
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	4.09
IP(EA), eV:	-8.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-phenoxyprop-1-en-2-yl)-5-(phenylsulfanylmethyl)triazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=NNC(=O)C2CC(NN2)C3=CC=C(C=C3)F)OC

DOS

IR

Vibrations