Geometry & MOs

Info

ID:	393240
PubChem CID:	135019838
Reduced:	OSC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	586.535867
ΔH_f, kcal/mol:	-33.79
Dipole, Da:	3.01
IP(EA), eV:	-9.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentatriacontan-18-yl methanesulfonate

Drug info:

PubChemData

Smile

CCCCCC[C@H](C=O)C1=CC=CS1

DOS

IR

Vibrations