Geometry & MOs

Info

ID:	279285
PubChem CID:	103842888
Reduced:	BrNF2O3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	349.01251
ΔH_f, kcal/mol:	-217.01
Dipole, Da:	6.75
IP(EA), eV:	-9.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-2,5-difluoroanilino)-3,3-dimethyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(CC(=O)NC1=CC(=C(C=C1F)Br)F)C(=O)O

DOS

IR

Vibrations