Geometry & MOs

Info

ID:	35944
PubChem CID:	7980527
Reduced:	NSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	10.05
IP(EA), eV:	-9.57(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-fluoro-2-methylphenyl)benzamide

Drug info:

PubChemData

Smile

C[C@@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations