Geometry & MOs

Info

ID:

323760

PubChem CID:

126676039

Reduced:

PBr2N3O9C21H26 (1)

Stoich.:

AB2C3D9E21F26 (1)

Weight, g/mol:

571.229481

ΔHf, kcal/mol:

-427.8

Dipole, Da:

4.95

IP(EA), eV:

 -9.74(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methylpentan-2-yl (2S)-2-[[[(3R,4S)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4-trihydroxy-4-methylpentoxy]-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C(C(O1)N2C=CC(=O)NC2=O)(Br)Br)O)OC3=CC=CC=C3

DOS

IR

Vibrations