Geometry & MOs

Info

ID:	449896
PubChem CID:	135302367
Reduced:	ISO3N4C24H33 (1)
Stoich.:	ABC3D4E24F33 (1)
Weight, g/mol:	497.186318
ΔH_f, kcal/mol:	-133.01
Dipole, Da:	7.65
IP(EA), eV:	-8.81(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NCC1=CC=CC2=CC=CC=C21)NC(=O)C[C@H](CC(=O)NC(C)(C)C)NSI

DOS

IR

Vibrations