Geometry & MOs

Info

ID:	232878
PubChem CID:	87577356
Reduced:	SeO2H8C10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	460.198966
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	1.78
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[(4-ethyl-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)[Se]C=C2

DOS

IR

Vibrations