Geometry & MOs

Info

ID:	349107
PubChem CID:	127274833
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	354.172562
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	4.93
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations