Geometry & MOs

Info

ID:

311913

PubChem CID:

126599389

Reduced:

ClPN6O9C35H40 (1)

Stoich.:

ABC6D9E35F40 (1)

Weight, g/mol:

491.041592

ΔHf, kcal/mol:

-308.92

Dipole, Da:

9.01

IP(EA), eV:

 -9.51(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(3aR,4R,6R,6aR)-4-(4,6-dichloroimidazo[4,5-c]pyridin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-2-phosphorosoacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3N4C=CN=C4)Cl)C)OC(C)(C)O)P(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations