Geometry & MOs

Info

ID:

327996

PubChem CID:

126691660

Reduced:

ClFN4H14C17 (1)

Stoich.:

ABC4D14E17 (1)

Weight, g/mol:

717.227355

ΔHf, kcal/mol:

37.06

Dipole, Da:

4.63

IP(EA), eV:

 -9.51(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[6-(3,3-difluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-[(3Z,5E)-6-(trifluoromethoxy)hepta-1,3,5-trien-2-yl]-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-2-fluoro-4-methoxyphenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N3C(=NN=C3CC2)C)C4=CN=CC(=C4Cl)F

DOS

IR

Vibrations