Geometry & MOs

Info

ID:

390358

PubChem CID:

134998647

Reduced:

NOC8H11 (2)

Stoich.:

ABC8D11 (2)

Weight, g/mol:

572.175458

ΔHf, kcal/mol:

-13.55

Dipole, Da:

5.8

IP(EA), eV:

 -8.94(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3,4-bis(4-nitrophenyl)-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CN1C(N([C]O1)C2CCCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations