Geometry & MOs

Info

ID:

305002

PubChem CID:

124766415

Reduced:

NO3H13C14 (2)

Stoich.:

AB3C13D14 (2)

Weight, g/mol:

612.170372

ΔHf, kcal/mol:

-151.55

Dipole, Da:

4.11

IP(EA), eV:

 -8.92(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-[(3E)-3-[(4-nitrophenyl)hydrazinylidene]-2-oxoindol-1-yl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@](N2)(CC5=CC=C(C=C5)O)C(=O)OC

DOS

IR

Vibrations