Geometry & MOs

Info

ID:	162811
PubChem CID:	57570981
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	596.171836
ΔH_f, kcal/mol:	-103.8
Dipole, Da:	4.25
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[4-[4-methyl-4-(methyldisulfanyl)pentanoyl]piperazin-1-yl]propyl]-5-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CN(C)CC#CC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

DOS

IR

Vibrations