Geometry & MOs

Info

ID:	38741
PubChem CID:	8137852
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-90.17
Dipole, Da:	4.07
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(N(N=C2C)C)C

DOS

IR

Vibrations