Geometry & MOs

Info

ID:	444790
PubChem CID:	135263547
Reduced:	F2N2O3C26H26 (1)
Stoich.:	A2B2C3D26E26 (1)
Weight, g/mol:	597.78564
ΔH_f, kcal/mol:	-130.37
Dipole, Da:	3.45
IP(EA), eV:	-8.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one;phosphanylidenezinc;zinc

Drug info:

PubChemData

Smile

CCCN1CC(C1)OC2=CC(=CC(=C2)N3C(COC4=C3C=CC(=C4)O)C5=CC=C(C=C5)F)F

DOS

IR

Vibrations