Geometry & MOs

Info

ID:	194582
PubChem CID:	78558658
Reduced:	NCl2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	388.978854
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	4.33
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)N1CCCC2=CC=CC=C21)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations