Geometry & MOs

Info

ID:	38739
PubChem CID:	8137849
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	410.15902
ΔH_f, kcal/mol:	-139.06
Dipole, Da:	8.7
IP(EA), eV:	-8.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations