Geometry & MOs

Info

ID:	449984
PubChem CID:	135302974
Reduced:	N5O5C22H29 (1)
Stoich.:	A5B5C22D29 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	-138.09
Dipole, Da:	4.53
IP(EA), eV:	-8.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-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)N[C@H](CO)C(=O)OCC3(CC3)CO)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations