Geometry & MOs

Info

ID:

326744

PubChem CID:

126688119

Reduced:

ON2S3F6C60H76 (1)

Stoich.:

AB2C3D6E60F76 (1)

Weight, g/mol:

459.132488

ΔHf, kcal/mol:

-329.92

Dipole, Da:

1.18

IP(EA), eV:

 -8.24(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1S)-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

CCCC(CC)(C1=CC=C(C=C1)C(F)(F)F)C2=CC=C(C3=NSN=C23)C4=CC5=C(S4)C6=C(C=C(S6)C(CC)(CC)C7=CC=C(C=C7)C(F)(F)F)C(O5)(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C

DOS

IR

Vibrations