Geometry & MOs

Info

ID:

328105

PubChem CID:

126692080

Reduced:

ClN3O4F6H28C30 (1)

Stoich.:

AB3C4D6E28F30 (1)

Weight, g/mol:

687.191638

ΔHf, kcal/mol:

-436.53

Dipole, Da:

8.66

IP(EA), eV:

 -8.95(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6Z)-6-[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]-1H-pyrazine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CCC(O)O)Cl)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations