Geometry & MOs

Info

ID:	61254
PubChem CID:	26707464
Reduced:	FN4O4C25H27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	477.233565
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	6.89
IP(EA), eV:	-8.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F)C

DOS

IR

Vibrations