Geometry & MOs

Info

ID:	229734
PubChem CID:	87568711
Reduced:	NO3F7C12H12 (1)
Stoich.:	AB3C7D12E12 (1)
Weight, g/mol:	417.101937
ΔH_f, kcal/mol:	-460.27
Dipole, Da:	8.53
IP(EA), eV:	-8.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=CN1)OCCCCC(C(F)(F)F)(C(F)(F)F)F)O

DOS

IR

Vibrations