Geometry & MOs

Info

ID:

180886

PubChem CID:

76699392

Reduced:

F3O4N9C21H26 (1)

Stoich.:

A3B4C9D21E26 (1)

Weight, g/mol:

497.174685

ΔHf, kcal/mol:

-197.79

Dipole, Da:

2.11

IP(EA), eV:

 -9.06(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-N-[[3-[3-fluoro-4-[1-[2-(tetrazol-2-yl)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)CNCC2=NNN=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)C(F)F)F

DOS

IR

Vibrations