Geometry & MOs

Info

ID:

222731

PubChem CID:

85332182

Reduced:

ClNO3C30H36 (1)

Stoich.:

ABC3D30E36 (1)

Weight, g/mol:

494.107162

ΔHf, kcal/mol:

-134.0

Dipole, Da:

2.65

IP(EA), eV:

 -8.56(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)NC(=O)C)C2(C(=CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C)Cl)O

DOS

IR

Vibrations