Geometry & MOs

Info

ID:	82812
PubChem CID:	49856585
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	360.02333
ΔH_f, kcal/mol:	-139.9
Dipole, Da:	2.21
IP(EA), eV:	-9.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5S)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H](C=CC1=O)[C@@H](CC=O)C2=CC=CC=C2

DOS

IR

Vibrations