Geometry & MOs

Info

ID:

440999

PubChem CID:

135232623

Reduced:

PF2N4O9C29H45 (1)

Stoich.:

AB2C4D9E29F45 (1)

Weight, g/mol:

546.169107

ΔHf, kcal/mol:

-590.0

Dipole, Da:

3.51

IP(EA), eV:

 -9.62(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=O)N(C=C1)[C@H]2[C@]([C@@H]([C@](O2)(COP(=O)(N[C@@H](C)C(=O)OC3CCCCC3)N[C@@H](C)C(=O)OC4CCCCC4)F)O)(C)F

DOS

IR

Vibrations