Geometry & MOs

Info

ID:

231080

PubChem CID:

87572591

Reduced:

BrNO2C14H18 (1)

Stoich.:

ABC2D14E18 (1)

Weight, g/mol:

988.306155

ΔHf, kcal/mol:

-36.12

Dipole, Da:

19.04

IP(EA), eV:

-6.89(-1.67)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(7-methoxy-2-oxoquinolin-1-yl)propanamide;3-(7-methoxy-2-oxoquinoxalin-1-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2[NH+]1C(=O)OC(C)(C)C.[Br-]

DOS

IR

Vibrations