Geometry & MOs

Info

ID:	150570
PubChem CID:	53790263
Reduced:	NCl2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	438.00003
ΔH_f, kcal/mol:	-187.67
Dipole, Da:	5.32
IP(EA), eV:	-9.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-4-(2,4-dichlorophenoxy)-2,2-dimethyl-3-oxobutyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1C[C@@H](C(=O)O)N)Cl)Cl)C(=O)O

DOS

IR

Vibrations