Geometry & MOs

Info

ID:

328023

PubChem CID:

126691773

Reduced:

N3O5F7H32C37 (1)

Stoich.:

A3B5C7D32E37 (1)

Weight, g/mol:

623.260706

ΔHf, kcal/mol:

-480.31

Dipole, Da:

7.97

IP(EA), eV:

 -9.07(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C(=CC(=C4)C5=C(C=C(C=C5)C(=O)O)C)F)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations