Geometry & MOs

Info

ID:	414925
PubChem CID:	135087897
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	-101.59
Dipole, Da:	6.6
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3CNC(=O)N3)C4=C1C=CS4

DOS

IR

Vibrations