Geometry & MOs

Info

ID:

188529

PubChem CID:

77728514

Reduced:

ClO4N7C36H60 (1)

Stoich.:

AB4C7D36E60 (1)

Weight, g/mol:

752.20108

ΔHf, kcal/mol:

-210.79

Dipole, Da:

3.11

IP(EA), eV:

 -8.62(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)C(C3C(NNC3C)C)C4=CC=C(C=C4)C(=O)NCCN(C)C)C(C5CCCCC5)O.Cl

DOS

IR

Vibrations