Geometry & MOs

Info

ID:

329086

PubChem CID:

126731205

Reduced:

PSF2N5O9C32H38 (1)

Stoich.:

ABC2D5E9F32G38 (1)

Weight, g/mol:

557.137473

ΔHf, kcal/mol:

-497.16

Dipole, Da:

2.35

IP(EA), eV:

 -8.39(-0.78)

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]-3,3-dimethyl-2H-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC4=C(C=C3)SCC(N4)(C)C)(F)F)O)OC5=CC=CC=C5

DOS

IR

Vibrations