Geometry & MOs

Info

ID:

425678

PubChem CID:

135127320

Reduced:

N3O6C52H105 (1)

Stoich.:

A3B6C52D105 (1)

Weight, g/mol:

447.068962

ΔHf, kcal/mol:

-487.69

Dipole, Da:

6.39

IP(EA), eV:

 -8.97(0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCCNCC(C)(C)OCCC(C)(C)OC)NC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations