Geometry & MOs

Info

ID:

425125

PubChem CID:

135125253

Reduced:

BrSF2N2O7C24H33 (1)

Stoich.:

ABC2D2E7F24G33 (1)

Weight, g/mol:

617.228577

ΔHf, kcal/mol:

-401.86

Dipole, Da:

5.32

IP(EA), eV:

 -9.82(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-5-(2-azidoethyl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)[C@@](C(=N1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(CCO)CF)C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations