Geometry & MOs

Info

ID:	56534
PubChem CID:	17436148
Reduced:	ClSF2O2N3H14C17 (1)
Stoich.:	ABC2D2E3F14G17 (1)
Weight, g/mol:	450.14741
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	5.85
IP(EA), eV:	-9.44(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1,4-diazaspiro[5.5]undecane-3,5-dione

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations