Geometry & MOs

Info

ID:

305005

PubChem CID:

124766418

Reduced:

NO3C7H7 (4)

Stoich.:

AB3C7D7 (4)

Weight, g/mol:

612.170372

ΔHf, kcal/mol:

-355.72

Dipole, Da:

8.16

IP(EA), eV:

 -9.19(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4S,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

CC(=O)OC[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)N2C3=CC=CC=C3/C(=N\NC4=CC=C(C=C4)[N+](=O)[O-])/C2=O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations