Geometry & MOs

Info

ID:	159555
PubChem CID:	57288449
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	338.201082
ΔH_f, kcal/mol:	-169.77
Dipole, Da:	6.71
IP(EA), eV:	-9.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-decylphenyl) 3-phosphanyloxypropanoate

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CC(=O)OS(=O)(=O)C2=CC=CC=C2)CN

DOS

IR

Vibrations