Geometry & MOs

Info

ID:	153268
PubChem CID:	56312437
Reduced:	OSF2N5C22H23 (1)
Stoich.:	ABC2D5E22F23 (1)
Weight, g/mol:	398.191818
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	4.46
IP(EA), eV:	-8.96(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F)CC4=CC=CC=C4F

DOS

IR

Vibrations