Geometry & MOs

Info

ID:	156539
PubChem CID:	56371068
Reduced:	SN2O5C26H36 (1)
Stoich.:	AB2C5D26E36 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-181.19
Dipole, Da:	3.57
IP(EA), eV:	-8.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations