Geometry & MOs

Info

ID:	317423
PubChem CID:	126637586
Reduced:	ClO2N6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	3.45
Dipole, Da:	2.33
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3-propan-2-ylquinolin-7-yl)oxymethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC3=C2N=CN=C3Cl)O)O)CCC4=CC5=NC(=NC=C5C=C4)N

DOS

IR

Vibrations