Geometry & MOs

Info

ID:

327985

PubChem CID:

126691631

Reduced:

N2S3O12C32H36 (1)

Stoich.:

A2B3C12D32E36 (1)

Weight, g/mol:

686.177545

ΔHf, kcal/mol:

-364.45

Dipole, Da:

2.33

IP(EA), eV:

 -8.19(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-4-methoxyphenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C4=C(C=C5C(=C4)CCCN5CCCS(=O)(=O)O)OC3C=C2N(C1)CCCS(=O)(=O)O)C6=C(C=CC(=C6)S(=O)(=O)O)C(=O)O

DOS

IR

Vibrations