Geometry & MOs

Info

ID:

230269

PubChem CID:

87570547

Reduced:

ClSO2N6C26H37 (1)

Stoich.:

ABC2D6E26F37 (1)

Weight, g/mol:

458.077028

ΔHf, kcal/mol:

-45.34

Dipole, Da:

6.65

IP(EA), eV:

 -8.7(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-ethyl-4-[[4-[3-fluoro-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=N)N(C)C(=O)C)C)Cl

DOS

IR

Vibrations