Geometry & MOs

Info

ID:	348968
PubChem CID:	127274694
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	4.64
IP(EA), eV:	-9.11(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations