Geometry & MOs

Info

ID:	230519
PubChem CID:	87571210
Reduced:	NO5C25H47 (1)
Stoich.:	AB5C25D47 (1)
Weight, g/mol:	441.345424
ΔH_f, kcal/mol:	-323.98
Dipole, Da:	4.18
IP(EA), eV:	-10.19(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(dodecanoylamino)-5-octoxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCCCCCCCC)C(=O)O

DOS

IR

Vibrations