Geometry & MOs

Info

ID:	303211
PubChem CID:	124489362
Reduced:	BrSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	2.78
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations