Geometry & MOs

Info

ID:

311917

PubChem CID:

126599393

Reduced:

SO7C11H22 (1)

Stoich.:

AB7C11D22 (1)

Weight, g/mol:

729.265405

ΔHf, kcal/mol:

-333.9

Dipole, Da:

2.72

IP(EA), eV:

 -9.29(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[9-[(3aR,4R,6R,6aR)-6-[[dibutoxyphosphoryl-(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloropurin-6-yl]carbamate

Drug info:

PubChemData

Smile

CC1C(C(C(O1)CS)O)OCOC(C(C(C)O)O)O

DOS

IR

Vibrations