Geometry & MOs

Info

ID:

186927

PubChem CID:

77506468

Reduced:

BrNS2O5H18C21 (1)

Stoich.:

ABC2D5E18F21 (1)

Weight, g/mol:

680.183139

ΔHf, kcal/mol:

-122.94

Dipole, Da:

4.19

IP(EA), eV:

 -9.38(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[(5-chlorothiophene-2-carbonyl)-[[3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]pentanediamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=C2C=CC(=C3)C4=CC=C(S4)Br

DOS

IR

Vibrations