Geometry & MOs

Info

ID:	449948
PubChem CID:	135302765
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-165.09
Dipole, Da:	0.82
IP(EA), eV:	-9.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-3-hydroxy-2-[[(8S)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=NC=C(C=C1)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations