Geometry & MOs

Info

ID:	69072
PubChem CID:	46517616
Reduced:	ClS2N3O5H16C20 (1)
Stoich.:	AB2C3D5E16F20 (1)
Weight, g/mol:	335.078013
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	8.06
IP(EA), eV:	-9.3(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

DOS

IR

Vibrations