Geometry & MOs

Info

ID:	125606
PubChem CID:	50929791
Reduced:	ClNF3O4H15C18 (1)
Stoich.:	ABC3D4E15F18 (1)
Weight, g/mol:	455.95072
ΔH_f, kcal/mol:	-289.16
Dipole, Da:	3.95
IP(EA), eV:	-9.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)C(=O)OCC(=O)NCC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations