Geometry & MOs

Info

ID:	404183
PubChem CID:	135065368
Reduced:	ClOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-40.17
Dipole, Da:	2.76
IP(EA), eV:	-9.36(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-2-acetyloxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CC/C(=C\C2=CC=C(C=C2)Cl)/[C@H](C1)O

DOS

IR

Vibrations