Geometry & MOs

Info

ID:	35743
PubChem CID:	7980273
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-125.07
Dipole, Da:	1.21
IP(EA), eV:	-9.06(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)COC1=CC=CC=C1

DOS

IR

Vibrations