Geometry & MOs

Info

ID:

395849

PubChem CID:

135026699

Reduced:

ClO2N6C22H23 (1)

Stoich.:

AB2C6D22E23 (1)

Weight, g/mol:

392.215866

ΔHf, kcal/mol:

51.31

Dipole, Da:

2.52

IP(EA), eV:

 -8.75(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,6S,7S,8R,8aR)-6-[2-[(2S,3S,4R,5R,6S)-5-amino-4-hydroxy-3,6-bis(hydroxymethyl)oxan-2-yl]ethyl]-7-(hydroxymethyl)-1,2,4,4a,6,7,8,8a-octahydropyrano[3,2-d][1,3]oxazin-8-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=C3N(N2)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations