Geometry & MOs

Info

ID:

80673

PubChem CID:

49835841

Reduced:

N2H4C5 (3)

Stoich.:

A2B4C5 (3)

Weight, g/mol:

473.198442

ΔHf, kcal/mol:

168.56

Dipole, Da:

3.8

IP(EA), eV:

 -8.6(-0.76)

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-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)CC4=NNN=N4

DOS

IR

Vibrations