Geometry & MOs

Info

ID:

214819

PubChem CID:

85083695

Reduced:

N6O14C23H32 (1)

Stoich.:

A6B14C23D32 (1)

Weight, g/mol:

616.256937

ΔHf, kcal/mol:

-474.29

Dipole, Da:

8.62

IP(EA), eV:

 -9.52(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-amino-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC)N=[N+]=[N-])OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C

DOS

IR

Vibrations