Geometry & MOs

Info

ID:	230880
PubChem CID:	87572192
Reduced:	O4N5F6C11H15 (1)
Stoich.:	A4B5C6D11E15 (1)
Weight, g/mol:	371.267173
ΔH_f, kcal/mol:	-456.27
Dipole, Da:	8.71
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(dodecanoylamino)-5-oxo-5-propan-2-yloxypentanoic acid

Drug info:

PubChemData

Smile

CC(CN)C1=CN=C(N=C1N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations