Geometry & MOs

Info

ID:	303351
PubChem CID:	124489553
Reduced:	BrSN2O4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	342.041661
ΔH_f, kcal/mol:	-125.28
Dipole, Da:	4.46
IP(EA), eV:	-8.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CN([C@H]1CCNC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)OC)Br

DOS

IR

Vibrations