Geometry & MOs

Info

ID:	17225
PubChem CID:	489311
Reduced:	N2S2O3C29H36 (1)
Stoich.:	A2B2C3D29E36 (1)
Weight, g/mol:	524.216735
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	6.37
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenylpropyl)-1-[[(3S,4S)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

C1CN(CCC1(CCCC2=CC=CC=C2)O)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

DOS

IR

Vibrations