Geometry & MOs

Info

ID:	243780
PubChem CID:	99239557
Reduced:	SN2O7C21H26 (1)
Stoich.:	AB2C7D21E26 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-233.49
Dipole, Da:	1.94
IP(EA), eV:	-9.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)C2=CC=C(O2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations