Geometry & MOs

Info

ID:	121018
PubChem CID:	50753465
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	429.168856
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	6.42
IP(EA), eV:	-9.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)N4CCN(CC4)C(=O)C

DOS

IR

Vibrations