Geometry & MOs

Info

ID:	68619
PubChem CID:	46508776
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	444.125612
ΔH_f, kcal/mol:	-133.07
Dipole, Da:	5.98
IP(EA), eV:	-8.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCN1C(C(CCC1=O)C(=O)NC2=CN=C(C=C2)N3CCOCC3)C4=CC=CC=C4OC

DOS

IR

Vibrations