Geometry & MOs

Info

ID:	32551
PubChem CID:	7843085
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-106.34
Dipole, Da:	5.39
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-cyanophenoxy)acetate

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations