Geometry & MOs

Info

ID:	35679
PubChem CID:	7980189
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	341.093309
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	5.49
IP(EA), eV:	-9.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations