Geometry & MOs

Info

ID:	21120
PubChem CID:	587289
Reduced:	ClNBr2O3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	504.9478
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	1.51
IP(EA), eV:	-10.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5,6-dibromo-4-oxo-3,5-di(propan-2-yl)cyclohex-2-en-1-ylidene]amino] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NOC(=O)C2=CC=C(C=C2)Cl)C(C(C1=O)(C(C)C)Br)Br

DOS

IR

Vibrations