Geometry & MOs

Info

ID:	140415
PubChem CID:	52693969
Reduced:	FSN3O3H14C19 (1)
Stoich.:	ABC3D3E14F19 (1)
Weight, g/mol:	354.104956
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	8.12
IP(EA), eV:	-8.9(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations