Geometry & MOs

Info

ID:

297681

PubChem CID:

117625539

Reduced:

BrN4O4F6C29H33 (1)

Stoich.:

AB4C4D6E29F33 (1)

Weight, g/mol:

615.17796

ΔHf, kcal/mol:

-465.6

Dipole, Da:

6.91

IP(EA), eV:

 -8.69(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[(3S,4R)-4-ethoxyoxolan-3-yl]-methylamino]-5-(trifluoromethyl)pyridin-3-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCC(CC1)CN(C)C2=NC=C(N=C2CN3[C@H](C(OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)Br

DOS

IR

Vibrations