Geometry & MOs

Info

ID:

180885

PubChem CID:

76699391

Reduced:

F3O4N10C19H23 (1)

Stoich.:

A3B4C10D19E23 (1)

Weight, g/mol:

525.205985

ΔHf, kcal/mol:

-194.26

Dipole, Da:

3.03

IP(EA), eV:

 -8.55(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-N-[[3-[3-fluoro-4-[1-[2-(2H-triazol-4-ylmethylamino)acetyl]-1,2,5-triazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(N1)C(=O)NC2=NNC(=N2)N)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)C(F)F)F

DOS

IR

Vibrations