Geometry & MOs

Info

ID:	35886
PubChem CID:	7980447
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	0.99
IP(EA), eV:	-9.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(3R)-3-phenylbutanoyl]amino]acetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations