Geometry & MOs

Info

ID:

385217

PubChem CID:

134978542

Reduced:

FPSN5O7H34C38 (1)

Stoich.:

ABCD5E7F34G38 (1)

Weight, g/mol:

321.018443

ΔHf, kcal/mol:

-204.94

Dipole, Da:

5.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760852

Charge, e:

 -2

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5R)-5-(dioxidophosphinothioyloxymethyl)-4-hydroxyoxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)O[C@H]4C[C@@H](O[C@@H]4COP(=S)([O-])F)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7

DOS

IR

Vibrations