Geometry & MOs

Info

ID:	263445
PubChem CID:	103368020
Reduced:	SN2F3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	304.012948
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	3.03
IP(EA), eV:	-8.84(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]propanenitrile

Drug info:

PubChemData

Smile

CC1CN(CCS1)CC(C#N)C(F)(F)F

DOS

IR

Vibrations