Geometry & MOs

Info

ID:

326778

PubChem CID:

126688189

Reduced:

F2N3O3H17C18 (2)

Stoich.:

A2B3C3D17E18 (2)

Weight, g/mol:

459.132488

ΔHf, kcal/mol:

-314.74

Dipole, Da:

8.29

IP(EA), eV:

 -9.46(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-9-[(1R,3R,4R,5S)-4,5-dihydroxy-6-(sulfamoylamino)-2-oxabicyclo[3.1.0]hexan-3-yl]purine

Drug info:

PubChemData

Smile

CC(OC(=O)C)OC(=O)CC(=O)N=C(C1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC=CC=C4)NCC5CC5)F)N

DOS

IR

Vibrations