Geometry & MOs

Info

ID:	140959
PubChem CID:	52790566
Reduced:	N2O2C22H29 (1)
Stoich.:	A2B2C22D29 (1)
Weight, g/mol:	407.224263
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	2.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752829
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-ylsulfonyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCC[C@@H](C1)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations