Geometry & MOs

Info

ID:

80682

PubChem CID:

49835874

Reduced:

N2O2H16C17 (1)

Stoich.:

A2B2C16D17 (1)

Weight, g/mol:

540.204256

ΔHf, kcal/mol:

-6.26

Dipole, Da:

1.42

IP(EA), eV:

 -8.49(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2C3=CC=CC=C3)CC(=O)OC

DOS

IR

Vibrations