Geometry & MOs

Info

ID:	230129
PubChem CID:	87570273
Reduced:	ClOC5H9 (1)
Stoich.:	ABC5D9 (1)
Weight, g/mol:	433.06786
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	2.66
IP(EA), eV:	-9.46(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamothioic S-acid

Drug info:

PubChemData

Smile

CCC/C=C(\O)/Cl

DOS

IR

Vibrations