Geometry & MOs

Info

ID:

329083

PubChem CID:

126731192

Reduced:

ClPF2N3O9C20H21 (1)

Stoich.:

ABC2D3E9F20G21 (1)

Weight, g/mol:

539.022749

ΔHf, kcal/mol:

-479.07

Dipole, Da:

8.7

IP(EA), eV:

 -9.53(-1.3)

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]-3,4-dichlorobenzamide

Drug info:

PubChemData

Smile

CCOP1(=O)OC[C@@H]2[C@@H](O1)C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC(=C(C(=C4)OC)Cl)OC)(F)F

DOS

IR

Vibrations