Geometry & MOs

Info

ID:

181893

PubChem CID:

76810721

Reduced:

PSN6O8C24H33 (1)

Stoich.:

ABC6D8E24F33 (1)

Weight, g/mol:

586.175004

ΔHf, kcal/mol:

-341.55

Dipole, Da:

2.33

IP(EA), eV:

 -8.85(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[(benzylamino)-[[5-(2,4-dioxopyridin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(NC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)O

DOS

IR

Vibrations