Geometry & MOs

Info

ID:	123329
PubChem CID:	50842601
Reduced:	ClFO2N3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	460.222289
ΔH_f, kcal/mol:	-93.3
Dipole, Da:	3.01
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propan-2-ylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=NC2=CC(=CC(=C2C=C1)C(=O)NCC3=CC(=C(C=C3)F)Cl)NC(=O)C(C)C

DOS

IR

Vibrations