Geometry & MOs

Info

ID:	366574
PubChem CID:	127320103
Reduced:	SN3O3C15H29 (1)
Stoich.:	AB3C3D15E29 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-152.39
Dipole, Da:	6.25
IP(EA), eV:	-9.16(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCN(C1)S(=O)(=O)C)N2CCCCCC2

DOS

IR

Vibrations