Geometry & MOs

Info

ID:

327964

PubChem CID:

126691539

Reduced:

S2N3O7C32H43 (1)

Stoich.:

A2B3C7D32E43 (1)

Weight, g/mol:

584.165838

ΔHf, kcal/mol:

-246.22

Dipole, Da:

1.91

IP(EA), eV:

 -7.83(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(3-fluoroazetidin-1-yl)-5-(2-methoxyphenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC\1(C2=C(C=CC(=C2)S(=O)(=O)N)N(/C1=C\C=C\C=C\N(CCCCS(=O)(=O)O)C3=CC=CC=C3C(C)(C)C)CCC(=O)O)C

DOS

IR

Vibrations