Geometry & MOs

Info

ID:

219434

PubChem CID:

85148663

Reduced:

BrF4O4N5H16C17 (1)

Stoich.:

AB4C4D5E16F17 (1)

Weight, g/mol:

506.96132

ΔHf, kcal/mol:

-343.48

Dipole, Da:

4.72

IP(EA), eV:

 -8.97(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[6-(6-aminopurin-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]sulfanyl]-4-bromobutane-2,3-dione

Drug info:

PubChemData

Smile

CN1CCN(C1=O)C(=O)NC2=CC(=C(C=C2Br)F)N3C(=O)CC(N(C3=O)C)C(F)(F)F

DOS

IR

Vibrations