Geometry & MOs

Info

ID:	303259
PubChem CID:	124489427
Reduced:	OSN2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	312.071468
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	3.19
IP(EA), eV:	-8.81(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

DOS

IR

Vibrations