Geometry & MOs

Info

ID:	175273
PubChem CID:	75877660
Reduced:	FSO2N4C19H26 (1)
Stoich.:	ABC2D4E19F26 (1)
Weight, g/mol:	403.153693
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	2.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020402
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)NC1=CC(=C(C=C1)F)NC(=O)C)C2=CSC=C2

DOS

IR

Vibrations