Geometry & MOs

Info

ID:	244436
PubChem CID:	99350858
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	4.33
IP(EA), eV:	-8.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)NC[C@H]2CCN(C2)C3=CC=CC=C3OC)OC

DOS

IR

Vibrations