Geometry & MOs

Info

ID:	232697
PubChem CID:	87576741
Reduced:	NSO3C22H33 (1)
Stoich.:	ABC3D22E33 (1)
Weight, g/mol:	314.132966
ΔH_f, kcal/mol:	-127.25
Dipole, Da:	7.77
IP(EA), eV:	-8.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCC(N1C=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations