Geometry & MOs

Info

ID:

328123

PubChem CID:

126692147

Reduced:

ON4C15H20 (1)

Stoich.:

AB4C15D20 (1)

Weight, g/mol:

678.227689

ΔHf, kcal/mol:

43.98

Dipole, Da:

3.82

IP(EA), eV:

 -8.42(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-[2-(azetidin-1-yl)-4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C=C1C2=CNN(C2=NC(=N1)C3CCC3)C4CCOCC4

DOS

IR

Vibrations