Geometry & MOs

Info

ID:

310315

PubChem CID:

126578527

Reduced:

F3C26H37 (1)

Stoich.:

A3B26C37 (1)

Weight, g/mol:

528.178529

ΔHf, kcal/mol:

-187.86

Dipole, Da:

4.16

IP(EA), eV:

 -9.81(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-(fluoromethyl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)CC2CCC(CC2)C3CCC(CC3)C4=CC(=C(C(=C4)F)F)F

DOS

IR

Vibrations