Geometry & MOs

Info

ID:	303216
PubChem CID:	124489368
Reduced:	ClFSN2O2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	318.080491
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	5.28
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations