Geometry & MOs

Info

ID:	446359
PubChem CID:	135274365
Reduced:	PO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	303.096754
ΔH_f, kcal/mol:	-242.16
Dipole, Da:	5.41
IP(EA), eV:	-9.71(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-[(1S,3R)-4,5-dihydroxy-3-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CC2(CC3C[C@@]3(C2O1)OP(=O)(C)O)OC

DOS

IR

Vibrations