Geometry & MOs

Info

ID:

327967

PubChem CID:

126691550

Reduced:

FSO2N4C23H23 (1)

Stoich.:

ABC2D4E23F23 (1)

Weight, g/mol:

649.237526

ΔHf, kcal/mol:

-36.8

Dipole, Da:

5.14

IP(EA), eV:

 -8.52(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CCCN3C2=C(C(=C3C4=CC(=CC=C4)F)C(=O)N(C)C=O)N(C)C

DOS

IR

Vibrations