Geometry & MOs

Info

ID:	343686
PubChem CID:	127266862
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	343.136591
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	4.12
IP(EA), eV:	-9.29(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-(3,3,4-trimethylpiperazin-1-yl)sulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS(=O)(=O)NC2CCOC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations