Geometry & MOs

Info

ID:

132427

PubChem CID:

51361441

Reduced:

O6C23H32 (1)

Stoich.:

A6B23C32 (1)

Weight, g/mol:

502.242749

ΔHf, kcal/mol:

-284.85

Dipole, Da:

2.73

IP(EA), eV:

 -9.81(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-N-(3-methylbutyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC[C@@](C2[C@@]1(C3CC[C@@H]4C[C@@]3([C@H](C2)O)C(=O)C4=C)C)(C)C(=O)OC

DOS

IR

Vibrations