Geometry & MOs

Info

ID:

328141

PubChem CID:

126692230

Reduced:

N4F6O6C37H38 (1)

Stoich.:

A4B6C6D37E38 (1)

Weight, g/mol:

679.24809

ΔHf, kcal/mol:

-470.9

Dipole, Da:

11.95

IP(EA), eV:

 -8.95(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z,4Z)-5-[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]-6-methoxyhepta-2,4,6-trien-3-yl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)OC)N5CCOCC5)O)C(=C)/C=C(\C=C(/C)\C(F)(F)F)/C(F)(F)F

DOS

IR

Vibrations