Geometry & MOs

Info

ID:	449992
PubChem CID:	135303004
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	3.54
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)OCC3CO3

DOS

IR

Vibrations