Geometry & MOs

Info

ID:	225979
PubChem CID:	87246527
Reduced:	BS2F6O6H12C16 (1)
Stoich.:	AB2C6D6E12F16 (1)
Weight, g/mol:	285.024184
ΔH_f, kcal/mol:	-533.61
Dipole, Da:	1.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754273
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) methanesulfonate

Drug info:

PubChemData

Smile

[B](OC1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F)OC2=C(C=C(C=C2)S(=O)(=O)C)C(F)(F)F

DOS

IR

Vibrations