Geometry & MOs

Info

ID:

329098

PubChem CID:

126731250

Reduced:

PF2N4O11C29H31 (1)

Stoich.:

AB2C4D11E29F31 (1)

Weight, g/mol:

457.129671

ΔHf, kcal/mol:

-548.24

Dipole, Da:

3.91

IP(EA), eV:

 -9.2(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC4=C(C=C3)OCO4)(F)F)O)OC5=CC=CC=C5

DOS

IR

Vibrations