Geometry & MOs

Info

ID:	60251
PubChem CID:	26675997
Reduced:	SN5O6C23H23 (1)
Stoich.:	AB5C6D23E23 (1)
Weight, g/mol:	445.163771
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	4.64
IP(EA), eV:	-9.69(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3)C(=O)OC

DOS

IR

Vibrations