Geometry & MOs

Info

ID:	141260
PubChem CID:	52849350
Reduced:	O2N4C21H35 (1)
Stoich.:	A2B4C21D35 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-77.58
Dipole, Da:	8.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755083
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(ethyl)amino]-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC

DOS

IR

Vibrations