Geometry & MOs

Info

ID:	303225
PubChem CID:	124489378
Reduced:	ClSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	302.085577
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	3.94
IP(EA), eV:	-8.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[C@H](C2)CNC)Cl

DOS

IR

Vibrations