Geometry & MOs

Info

ID:	449951
PubChem CID:	135302774
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	6.88
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-N-[(1S,2S)-1-cyclopentyl-1-hydroxypropan-2-yl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2([C@@H]1C(=O)OCC3(CS(=O)(=O)C3)CO)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations