Geometry & MOs

Info

ID:	406184
PubChem CID:	135076843
Reduced:	SN2F3O5H29C34 (1)
Stoich.:	AB2C3D5E29F34 (1)
Weight, g/mol:	323.01326
ΔH_f, kcal/mol:	-202.43
Dipole, Da:	4.73
IP(EA), eV:	-8.44(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-N-tert-butyl-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

COC/C=C(/C1=CC=CC2=C1N(C=C2)CC3=CC=CC=C3)\C(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations