Geometry & MOs

Info

ID:	354834
PubChem CID:	127287594
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	383.167891
ΔH_f, kcal/mol:	-148.12
Dipole, Da:	3.88
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfonyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations