Geometry & MOs

Info

ID:	378624
PubChem CID:	134224717
Reduced:	OSF3N3C10H12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	325.053039
ΔH_f, kcal/mol:	-170.72
Dipole, Da:	4.6
IP(EA), eV:	-8.62(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-[3-(1-methyldithiiran-1-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]propan-1-one

Drug info:

PubChemData

Smile

CSC1=NNC2=C1CN(CC2)C(=O)CC(F)(F)F

DOS

IR

Vibrations