Geometry & MOs

Info

ID:	194778
PubChem CID:	78588551
Reduced:	Cl2N3O4H15C18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	408.135508
ΔH_f, kcal/mol:	-90.3
Dipole, Da:	3.5
IP(EA), eV:	-9.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,1-dioxothiolan-3-yl)-propylamino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C(C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations