Geometry & MOs

Info

ID:

328111

PubChem CID:

126692101

Reduced:

F2O2N5C20H23 (1)

Stoich.:

A2B2C5D20E23 (1)

Weight, g/mol:

702.227689

ΔHf, kcal/mol:

-95.08

Dipole, Da:

5.78

IP(EA), eV:

 -9.11(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(3E)-3-[(Z)-1-(azetidin-1-yl)prop-1-enyl]imino-4-[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]-4-methoxyphenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C2CC[C@H]2C3=NC(=O)C4=CNN(C4=N3)C5CCC(CC5)(F)F)C

DOS

IR

Vibrations