Geometry & MOs

Info

ID:

127415

PubChem CID:

51001494

Reduced:

SN2F3O5C22H25 (1)

Stoich.:

AB2C3D5E22F25 (1)

Weight, g/mol:

562.17335

ΔHf, kcal/mol:

-329.03

Dipole, Da:

3.64

IP(EA), eV:

 -8.81(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-phenylpropanoate;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OCC(C(F)(F)F)O

DOS

IR

Vibrations