Geometry & MOs

Info

ID:	122778
PubChem CID:	50821059
Reduced:	SN4O4C23H38 (1)
Stoich.:	AB4C4D23E38 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	7.38
IP(EA), eV:	-8.64(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCS(=O)(=O)N2CCNCC2)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations