Geometry & MOs

Info

ID:	179975
PubChem CID:	76560927
Reduced:	F3O3N6C20H23 (1)
Stoich.:	A3B3C6D20E23 (1)
Weight, g/mol:	454.158723
ΔH_f, kcal/mol:	-201.7
Dipole, Da:	6.76
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-4-(5-methyl-6-thiomorpholin-4-ylpyridin-3-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCC(CC3)N4C=C(N=N4)C(F)F)F

DOS

IR

Vibrations