Geometry & MOs

Info

ID:	303213
PubChem CID:	124489364
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	346.03506
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	3.47
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations