Geometry & MOs

Info

ID:	35829
PubChem CID:	7980379
Reduced:	NO4H19C23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	410.9873
ΔH_f, kcal/mol:	-86.29
Dipole, Da:	1.4
IP(EA), eV:	-8.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

DOS

IR

Vibrations