Geometry & MOs

Info

ID:

327989

PubChem CID:

126691638

Reduced:

N3O4F6H31C33 (1)

Stoich.:

A3B4C6D31E33 (1)

Weight, g/mol:

567.309707

ΔHf, kcal/mol:

-381.38

Dipole, Da:

7.06

IP(EA), eV:

 -8.68(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-(5-methylcyclohepta-1,3,5-trien-1-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]cyclohexane-1-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C=CC(=C4)C5C[C@H]5C=O)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations