Geometry & MOs

Info

ID:	61420
PubChem CID:	26709123
Reduced:	SO3N5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	460.19444
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	7.22
IP(EA), eV:	-8.56(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-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)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations