Geometry & MOs

Info

ID:

228970

PubChem CID:

87566524

Reduced:

PF2N2O8C32H39 (1)

Stoich.:

AB2C2D8E32F39 (1)

Weight, g/mol:

506.04688

ΔHf, kcal/mol:

-472.85

Dipole, Da:

1.78

IP(EA), eV:

 -8.87(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3S,4S,5S)-4-[6-[(3-bromophenyl)methylamino]-2-chloropurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(=O)NCCCCOC3=CC=CC(=C3)O)NC(=O)O)(F)F)OCC

DOS

IR

Vibrations