Geometry & MOs

Info

ID:

214659

PubChem CID:

85083361

Reduced:

N3O5C33H51 (1)

Stoich.:

A3B5C33D51 (1)

Weight, g/mol:

570.260211

ΔHf, kcal/mol:

-171.15

Dipole, Da:

9.57

IP(EA), eV:

 -8.75(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-hydroxy-4-oxobutyl]phenyl]-2-aminoacetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)CC(C(CC(CC1=CC(=C(C=C1)C(C)(C)C)OCC2=CC=CC=C2[N+](=O)[O-])C(C)C)N)O

DOS

IR

Vibrations