Geometry & MOs

Info

ID:	349017
PubChem CID:	127274743
Reduced:	SN3O3C15H27 (1)
Stoich.:	AB3C3D15E27 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	2.54
IP(EA), eV:	-8.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC(C)CN2CCOCC2

DOS

IR

Vibrations