Geometry & MOs

Info

ID:	189971
PubChem CID:	77934634
Reduced:	FN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	502.172459
ΔH_f, kcal/mol:	-127.47
Dipole, Da:	1.04
IP(EA), eV:	-9.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,2-dihydrotriazol-3-ylmethyl)-3-[3-fluoro-4-[1-(5-nitrofuran-2-carbonyl)-1,2,5-triazepan-5-yl]phenyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1C2COC(=NC2(CO1)C3=C(C=CC(=C3)C(=O)N)F)N

DOS

IR

Vibrations