Geometry & MOs

Info

ID:	189521
PubChem CID:	77868036
Reduced:	F3N5O6C19H24 (1)
Stoich.:	A3B5C6D19E24 (1)
Weight, g/mol:	418.187715
ΔH_f, kcal/mol:	-346.38
Dipole, Da:	3.05
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCNN(C)C(=O)C(=O)O)C1=C(C=C(C=C1)N2CC(OC2=O)CNC(=O)C(F)F)F

DOS

IR

Vibrations