Geometry & MOs

Info

ID:

180884

PubChem CID:

76699390

Reduced:

SF4N6O6C24H26 (1)

Stoich.:

AB4C6D6E24F26 (1)

Weight, g/mol:

512.185584

ΔHf, kcal/mol:

-365.24

Dipole, Da:

7.63

IP(EA), eV:

 -9.04(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-amino-1H-1,2,4-triazol-3-yl)-5-[4-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,5-triazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN2)C3=C(C=C(C=C3F)N4CC(OC4=O)CNC(=O)C(F)F)F

DOS

IR

Vibrations