Geometry & MOs

Info

ID:	317409
PubChem CID:	126637347
Reduced:	NOC25H27 (1)
Stoich.:	ABC25D27 (1)
Weight, g/mol:	455.136032
ΔH_f, kcal/mol:	59.39
Dipole, Da:	3.56
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,5R)-3-[(2-amino-3-chloroquinolin-7-yl)oxymethyl]-5-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N=O)C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations