Geometry & MOs

Info

ID:	322175
PubChem CID:	126669079
Reduced:	ClF3O3N5C13H21 (1)
Stoich.:	AB3C3D5E13F21 (1)
Weight, g/mol:	522.257731
ΔH_f, kcal/mol:	-249.37
Dipole, Da:	8.17
IP(EA), eV:	-9.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-butoxy-4-[(1-butoxy-1,5-dioxo-5-phenylmethoxypentan-2-yl)carbamoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(COC[C@@H](COCC(F)(F)F)O)NCC1=NC(=C(N=N1)Cl)N

DOS

IR

Vibrations