Geometry & MOs

Info

ID:

328139

PubChem CID:

126692215

Reduced:

ClO4N5F9H23C33 (1)

Stoich.:

AB4C5D9E23F33 (1)

Weight, g/mol:

633.242611

ΔHf, kcal/mol:

-484.13

Dipole, Da:

4.77

IP(EA), eV:

 -9.67(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C(=CC(=C3)C4=C(C=C(C=N4)C=O)Cl)F)OC)N5CC(C5)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations