Geometry & MOs

Info

ID:	317455
PubChem CID:	126637941
Reduced:	OF3N5C25H26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-120.15
Dipole, Da:	3.08
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-[(2R,3R,5S)-5-ethynyl-3-(2-methoxypropan-2-yloxy)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1C=CN2C3CCC(C3)CCC4=CC5=C(C=C4)C=CC(=N5)NCC(F)(F)F

DOS

IR

Vibrations