Geometry & MOs

Info

ID:	32719
PubChem CID:	7847322
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	410.9873
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	4.67
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations