Geometry & MOs

Info

ID:	32720
PubChem CID:	7847327
Reduced:	BrClNO4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	355.042292
ΔH_f, kcal/mol:	-120.63
Dipole, Da:	3.45
IP(EA), eV:	-9.08(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)COC(=O)COC2=CC=CC=C2Cl)Br

DOS

IR

Vibrations