Geometry & MOs

Info

ID:	144236
PubChem CID:	53335614
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	534.217988
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	4.23
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=CC=C(C=C2)OC3=NC=CN=C3N4CCSCC4

DOS

IR

Vibrations