Geometry & MOs

Info

ID:	303210
PubChem CID:	124489361
Reduced:	BrSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	346.03506
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	3.48
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(4-bromo-3-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