Geometry & MOs

Info

ID:	230518
PubChem CID:	87571209
Reduced:	ClNS2O6C12H14 (1)
Stoich.:	ABC2D6E12F14 (1)
Weight, g/mol:	441.345424
ΔH_f, kcal/mol:	-197.59
Dipole, Da:	4.41
IP(EA), eV:	-9.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(dodecanoylamino)-5-octoxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1(CON(C1=O)CC2=CC=CC=C2Cl)S(=O)(=O)C

DOS

IR

Vibrations