Geometry & MOs

Info

ID:	35742
PubChem CID:	7980272
Reduced:	O6H14C17 (1)
Stoich.:	A6B14C17 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-162.64
Dipole, Da:	4.45
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations