Geometry & MOs

Info

ID:	190060
PubChem CID:	77946061
Reduced:	F2O4N8C21H28 (1)
Stoich.:	A2B4C8D21E28 (1)
Weight, g/mol:	465.204842
ΔH_f, kcal/mol:	-163.79
Dipole, Da:	3.86
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-3-[3,5-difluoro-4-[1-[2-(2H-triazol-4-ylmethylamino)acetyl]-1,2,5-triazepan-5-yl]phenyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCN(CCNN(C)C(=O)CN1C=CN=N1)C2=C(C=C(C=C2F)N3CC(OC3=O)CNC(=O)C)F

DOS

IR

Vibrations