Geometry & MOs

Info

ID:	358792
PubChem CID:	127296658
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-128.29
Dipole, Da:	7.76
IP(EA), eV:	-9.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylidenepiperidin-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)N2CCC(=C)CC2

DOS

IR

Vibrations