Geometry & MOs

Info

ID:

440998

PubChem CID:

135232622

Reduced:

PF2N4O9C23H37 (1)

Stoich.:

AB2C4D9E23F37 (1)

Weight, g/mol:

662.289222

ΔHf, kcal/mol:

-573.44

Dipole, Da:

4.07

IP(EA), eV:

 -9.78(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]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)OC(C)C)N[C@@H](C)C(=O)OC(C)C)F)O)(C)F

DOS

IR

Vibrations