Geometry & MOs

Info

ID:

329082

PubChem CID:

126731191

Reduced:

ClPF2N3O7C19H19 (1)

Stoich.:

ABC2D3E7F19G19 (1)

Weight, g/mol:

551.0672

ΔHf, kcal/mol:

-410.81

Dipole, Da:

3.51

IP(EA), eV:

 -10.05(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4aR,7aR)-2-ethoxy-7,7-difluoro-2-oxo-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

CC(C)OP1(=O)OC[C@@H]2[C@@H](O1)C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC=C(C=C4)Cl)(F)F

DOS

IR

Vibrations