Geometry & MOs

Info

ID:	19605
PubChem CID:	568898
Reduced:	SO4C22H36 (1)
Stoich.:	AB4C22D36 (1)
Weight, g/mol:	396.233431
ΔH_f, kcal/mol:	-209.21
Dipole, Da:	5.04
IP(EA), eV:	-9.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

undecyl 3-(2-phenylethylsulfonyl)propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCOC(=O)CCS(=O)(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations