Geometry & MOs

Info

ID:

317429

PubChem CID:

126637614

Reduced:

ClO2N3H18C21 (1)

Stoich.:

AB2C3D18E21 (1)

Weight, g/mol:

669.256541

ΔHf, kcal/mol:

8.56

Dipole, Da:

3.57

IP(EA), eV:

 -8.74(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[7-[(2R,3R,5S)-5-[(5-chloroquinolin-7-yl)oxymethyl]-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

C1CC(OC1COC2=CC3=CC=CC=C3C=C2)N4C=CC5=C4N=CN=C5Cl

DOS

IR

Vibrations