Geometry & MOs

Info

ID:	146996
PubChem CID:	53776968
Reduced:	O2C15H21 (2)
Stoich.:	A2B15C21 (2)
Weight, g/mol:	582.577338
ΔH_f, kcal/mol:	-202.75
Dipole, Da:	5.58
IP(EA), eV:	-8.83(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nonadecylsulfinylnonadecane

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](CC[C@H]2CC(=O)O)O)OCC3=CC=CC=C3

DOS

IR

Vibrations