Geometry & MOs

Info

ID:

328060

PubChem CID:

126691902

Reduced:

N2S2O9C32H36 (1)

Stoich.:

A2B2C9D32E36 (1)

Weight, g/mol:

663.253176

ΔHf, kcal/mol:

-318.09

Dipole, Da:

5.67

IP(EA), eV:

 -8.05(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C4=C(C=C5C(=C4)CCCN5CCCS(=O)(=O)O)OC3C=C2N(C1)CCCS(=O)(=O)O)C6=CC=CC=C6C(=O)O

DOS

IR

Vibrations