Geometry & MOs

Info

ID:	21161
PubChem CID:	587372
Reduced:	ClNBr2O3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	448.8852
ΔH_f, kcal/mol:	-49.1
Dipole, Da:	3.16
IP(EA), eV:	-10.27(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5,6-dibromo-2,5-dimethyl-4-oxocyclohex-2-en-1-ylidene)amino] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(C(C1=NOC(=O)C2=CC=C(C=C2)Cl)Br)(C)Br

DOS

IR

Vibrations