Geometry & MOs

Info

ID:	38858
PubChem CID:	8138064
Reduced:	SN4O5C17H20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	3.49
IP(EA), eV:	-9.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CN2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations