Geometry & MOs

Info

ID:	38737
PubChem CID:	8137847
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-97.48
Dipole, Da:	6.95
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations