Geometry & MOs

Info

ID:

80679

PubChem CID:

49835865

Reduced:

N2O2H16C17 (1)

Stoich.:

A2B2C16D17 (1)

Weight, g/mol:

489.17337

ΔHf, kcal/mol:

-6.11

Dipole, Da:

3.04

IP(EA), eV:

 -8.67(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2R,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C3=CC=CC=C32)CC(=O)OC

DOS

IR

Vibrations