Geometry & MOs

Info

ID:	237271
PubChem CID:	92718070
Reduced:	ClN2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	434.103335
ΔH_f, kcal/mol:	-58.48
Dipole, Da:	7.29
IP(EA), eV:	-9.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)COC3=CC=CC=C3C#N

DOS

IR

Vibrations