Geometry & MOs

Info

ID:	43238
PubChem CID:	10320041
Reduced:	N2O3F5H11C20 (1)
Stoich.:	A2B3C5D11E20 (1)
Weight, g/mol:	422.062023
ΔH_f, kcal/mol:	-288.79
Dipole, Da:	4.86
IP(EA), eV:	-9.8(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R,3S,4R,5R)-5-(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(F)(F)F)C3=C(C=CC(=C3O2)OC(F)F)C(=O)NC4=CC=NC=C4

DOS

IR

Vibrations