Geometry & MOs

Info

ID:	61080
PubChem CID:	26705381
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	444.159769
ΔH_f, kcal/mol:	-114.95
Dipole, Da:	2.27
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations