Geometry & MOs

Info

ID:

79955

PubChem CID:

49831814

Reduced:

PN4O12C14H23 (1)

Stoich.:

AB4C12D14E23 (1)

Weight, g/mol:

470.105009

ΔHf, kcal/mol:

-575.05

Dipole, Da:

3.2

IP(EA), eV:

 -9.96(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S)-1-amino-4-carbamoyloxy-2,3-dihydroxybutyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([C@H]([C@@H]([C@H](COC(=O)N)O)O)N)O)O)O

DOS

IR

Vibrations