Geometry & MOs

Info

ID:	230959
PubChem CID:	87572332
Reduced:	NO5C27H51 (1)
Stoich.:	AB5C27D51 (1)
Weight, g/mol:	413.314123
ΔH_f, kcal/mol:	-337.44
Dipole, Da:	2.3
IP(EA), eV:	-10.1(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-butan-2-yloxy-5-oxo-4-(tetradecanoylamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OC(C)CC)C(=O)OC(C)CC

DOS

IR

Vibrations