Geometry & MOs

Info

ID:	303221
PubChem CID:	124489374
Reduced:	NOSC6H10 (2)
Stoich.:	ABCD6E10 (2)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	3.88
IP(EA), eV:	-8.89(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CC[C@H](C2)CNC

DOS

IR

Vibrations