Geometry & MOs

Info

ID:

179214

PubChem CID:

76452445

Reduced:

N2O5C28H36 (1)

Stoich.:

A2B5C28D36 (1)

Weight, g/mol:

705.26374

ΔHf, kcal/mol:

-147.75

Dipole, Da:

3.3

IP(EA), eV:

 -9.31(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3-[6-(azetidin-1-yl)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC2(C(C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)C(N=N2)(C)C)OCCC5=CC=CC=C5

DOS

IR

Vibrations