Geometry & MOs

Info

ID:	121899
PubChem CID:	50785973
Reduced:	SO4N5H21C26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	3.87
IP(EA), eV:	-8.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-[[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2=NC3=CC=CC=C3N4C2=NN(C4=O)CC(=O)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations