Geometry & MOs

Info

ID:

433886

PubChem CID:

135174029

Reduced:

ClO6N7C37H38 (1)

Stoich.:

AB6C7D37E38 (1)

Weight, g/mol:

524.230091

ΔHf, kcal/mol:

-113.26

Dipole, Da:

6.82

IP(EA), eV:

 -7.12(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(2R)-2-[[[[(2R)-1-[(2-methylphenyl)methoxy]propan-2-yl]amino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CN(C(=O)C(=C1)C(=O)NC2=CC=CC(=C2Cl)C3=CC=C/C(=N\C4=C5C(=CC(=CN5)CN6CC(C6)C(=O)O)C=CN4)/C3=O)C)O

DOS

IR

Vibrations