Geometry & MOs

Info

ID:	195227
PubChem CID:	78660633
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	59.38
Dipole, Da:	6.39
IP(EA), eV:	-8.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-hydroxy-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations