Geometry & MOs

Info

ID:	71115
PubChem CID:	48414307
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-54.37
Dipole, Da:	3.2
IP(EA), eV:	-9.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-[[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCN3CCSC3=O

DOS

IR

Vibrations