Geometry & MOs

Info

ID:

328143

PubChem CID:

126692239

Reduced:

N4F6O6H24C31 (1)

Stoich.:

A4B6C6D24E31 (1)

Weight, g/mol:

703.222938

ΔHf, kcal/mol:

-401.58

Dipole, Da:

6.67

IP(EA), eV:

 -8.8(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (5Z)-5-[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]-2,4-dimethyl-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C/C(=C\5/C=C(ON5)C(=O)O)/C=CC4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations