Geometry & MOs

Info

ID:	391333
PubChem CID:	135004369
Reduced:	BS2F3C7H11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	419.06358
ΔH_f, kcal/mol:	-275.92
Dipole, Da:	6.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.904745
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-2-(3-methylphenyl)-4-phenylselenonylbutanoate

Drug info:

PubChemData

Smile

[B-](C1(SCCCS1)/C=C/C)(F)(F)F

DOS

IR

Vibrations