Geometry & MOs

Info

ID:	443239
PubChem CID:	135258255
Reduced:	SO6N7C20H27 (1)
Stoich.:	AB6C7D20E27 (1)
Weight, g/mol:	362.0026
ΔH_f, kcal/mol:	-205.41
Dipole, Da:	5.88
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2-(4-amino-6-bromo-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O[C@@H]3[C@H](C(OC3CO)N4C=NC5=C(N=CN=C54)N)O)NC(=O)N2

DOS

IR

Vibrations