Geometry & MOs

Info

ID:	61421
PubChem CID:	26709143
Reduced:	FSO3N4C23H29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	460.19444
ΔH_f, kcal/mol:	-119.08
Dipole, Da:	4.28
IP(EA), eV:	-8.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations