Geometry & MOs

Info

ID:	303262
PubChem CID:	124489430
Reduced:	SCl2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	290.090055
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	4.95
IP(EA), eV:	-9.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations