Geometry & MOs

Info

ID:	69060
PubChem CID:	46517281
Reduced:	N4O6H20C21 (1)
Stoich.:	A4B6C20D21 (1)
Weight, g/mol:	426.071942
ΔH_f, kcal/mol:	-204.96
Dipole, Da:	3.32
IP(EA), eV:	-8.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C2=CC=CC(=C2)CN3C(=O)CNC3=O

DOS

IR

Vibrations