Geometry & MOs

Info

ID:	122776
PubChem CID:	50821057
Reduced:	SN3O5C24H33 (1)
Stoich.:	AB3C5D24E33 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-165.02
Dipole, Da:	7.87
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)N(CCS(=O)(=O)N2CCNCC2)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations