Geometry & MOs

Info

ID:	449961
PubChem CID:	135302842
Reduced:	F2N2O5C10H14 (1)
Stoich.:	A2B2C5D10E14 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-262.94
Dipole, Da:	5.72
IP(EA), eV:	-10.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-N-[(2R)-2-cyclobutyl-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide

Drug info:

PubChemData

Smile

COC[C@@H]1CC[C@@H]2CN1C(=O)N2OC(C(=O)O)(F)F

DOS

IR

Vibrations