Geometry & MOs

Info

ID:

328071

PubChem CID:

126691950

Reduced:

F3N3O5C36H42 (1)

Stoich.:

A3B3C5D36E42 (1)

Weight, g/mol:

637.20114

ΔHf, kcal/mol:

-330.19

Dipole, Da:

10.39

IP(EA), eV:

 -8.41(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CC(C)(C)C(=O)OC(C)(C)C)OC)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations