Geometry & MOs

Info

ID:	32550
PubChem CID:	7843083
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-127.3
Dipole, Da:	6.43
IP(EA), eV:	-8.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations