Geometry & MOs

Info

ID:	32706
PubChem CID:	7847237
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-92.49
Dipole, Da:	8.88
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations