Geometry & MOs

Info

ID:	121691
PubChem CID:	50777542
Reduced:	NSO2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	451.139962
ΔH_f, kcal/mol:	-138.74
Dipole, Da:	3.84
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations