Geometry & MOs

Info

ID:

328140

PubChem CID:

126692216

Reduced:

NOF2C11H11 (3)

Stoich.:

ABC2D11E11 (3)

Weight, g/mol:

748.269554

ΔHf, kcal/mol:

-373.69

Dipole, Da:

8.91

IP(EA), eV:

 -8.6(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[[(4S,5R)-2-hydroxy-4-methyl-5-[(3E,5E)-7,7,7-trifluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCCC5)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations