Geometry & MOs

Info

ID:

328142

PubChem CID:

126692238

Reduced:

N3O5F6C34H35 (1)

Stoich.:

A3B5C6D34E35 (1)

Weight, g/mol:

662.160003

ΔHf, kcal/mol:

-435.57

Dipole, Da:

12.71

IP(EA), eV:

 -9.13(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-oxocyclohexa-2,5-dien-1-ylidene]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(\C=C(\C1=C(N=C(C=C1)N2CCC2)CN3[C@H]([C@H](OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)/C(=C)OC)/C5CC(C5)C(=O)O

DOS

IR

Vibrations