Geometry & MOs

Info

ID:	392467
PubChem CID:	135016851
Reduced:	Cl3F3O4H14C15 (1)
Stoich.:	A3B3C4D14E15 (1)
Weight, g/mol:	216.111007
ΔH_f, kcal/mol:	-315.18
Dipole, Da:	3.38
IP(EA), eV:	-9.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-acetamido-5-amino-5-oxopentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@H](/C=C/C(=O)OCC(Cl)(Cl)Cl)[C@H](C(F)(F)F)O

DOS

IR

Vibrations