Geometry & MOs

Info

ID:	418544
PubChem CID:	135105652
Reduced:	ClSF3N3O3C13H17 (1)
Stoich.:	ABC3D3E3F13G17 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	-265.26
Dipole, Da:	2.11
IP(EA), eV:	-9.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC2=C(C=C(C=N2)C(F)(F)F)Cl

DOS

IR

Vibrations