Geometry & MOs

Info

ID:	187465
PubChem CID:	77575170
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	550.130524
ΔH_f, kcal/mol:	-148.62
Dipole, Da:	4.28
IP(EA), eV:	-9.63(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-acetylpiperazine-1-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-chloro-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C3=NC=CC23

DOS

IR

Vibrations