Geometry & MOs

Info

ID:

327986

PubChem CID:

126691634

Reduced:

N4O5F8H26C31 (1)

Stoich.:

A4B5C8D26E31 (1)

Weight, g/mol:

693.26374

ΔHf, kcal/mol:

-517.77

Dipole, Da:

7.87

IP(EA), eV:

 -9.15(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4CC4C(=O)O)OC)N5CC(C5)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations