Geometry & MOs

Info

ID:

316010

PubChem CID:

126629624

Reduced:

BrClPN4O10C24H31 (1)

Stoich.:

ABCD4E10F24G31 (1)

Weight, g/mol:

639.03842

ΔHf, kcal/mol:

-490.61

Dipole, Da:

8.36

IP(EA), eV:

 -9.47(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-(3-methoxyphenoxy)phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(Cl)Br)N2C=CC(=O)NC2=O)CO[P@@](=O)(N[C@H](C)C(=O)OC(C)C)OC3=CC=CC=C3)N

DOS

IR

Vibrations