Geometry & MOs

Info

ID:	156863
PubChem CID:	56394773
Reduced:	ClSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	423.182792
ΔH_f, kcal/mol:	-50.17
Dipole, Da:	5.65
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations