Geometry & MOs

Info

ID:

385215

PubChem CID:

134978540

Reduced:

FPSN5O7H34C38 (1)

Stoich.:

ABCD5E7F34G38 (1)

Weight, g/mol:

641.152277

ΔHf, kcal/mol:

-202.37

Dipole, Da:

7.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760925

Charge, e:

 -1

Chem-info

IUPAC name:

1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[fluoro(oxido)phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OP(=S)([O-])F

DOS

IR

Vibrations