Geometry & MOs

Info

ID:	303258
PubChem CID:	124489426
Reduced:	SF2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	312.071468
ΔH_f, kcal/mol:	-147.6
Dipole, Da:	4.9
IP(EA), eV:	-9.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-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(=C(C=C2)F)F

DOS

IR

Vibrations