Geometry & MOs

Info

ID:	437300
PubChem CID:	135222219
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	338.01293
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	3.97
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-6-[(2,4,6-trifluorophenyl)methoxy]hexan-2-one

Drug info:

PubChemData

Smile

CC(=O)OCCCCC1=NN=C(SC1)N

DOS

IR

Vibrations