Geometry & MOs

Info

ID:	388226
PubChem CID:	134988544
Reduced:	OSN3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	326.00329
ΔH_f, kcal/mol:	15.1
Dipole, Da:	5.53
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylselanylbutan-2-yl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2N1)SC

DOS

IR

Vibrations