Geometry & MOs

Info

ID:	38014
PubChem CID:	8026401
Reduced:	OSN6H14C17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	88.79
Dipole, Da:	1.57
IP(EA), eV:	-8.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

DOS

IR

Vibrations