Geometry & MOs

Info

ID:

329103

PubChem CID:

126731258

Reduced:

PF2N4O11H33C36 (1)

Stoich.:

AB2C4D11E33F36 (1)

Weight, g/mol:

565.08285

ΔHf, kcal/mol:

-504.31

Dipole, Da:

8.45

IP(EA), eV:

 -9.79(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-4-chloro-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H](C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)(F)F)O)OC6=CC=CC=C6

DOS

IR

Vibrations