Geometry & MOs

Info

ID:	17621
PubChem CID:	507946
Reduced:	FO4N6H21C24 (1)
Stoich.:	AB4C6D21E24 (1)
Weight, g/mol:	476.160831
ΔH_f, kcal/mol:	-58.28
Dipole, Da:	6.21
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(5-amino-1,2,4-oxadiazol-3-yl)-4-fluoro-1H-indol-3-yl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C4=NOC(=N4)N)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations