Geometry & MOs

Info

ID:	303237
PubChem CID:	124489397
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	286.115127
ΔH_f, kcal/mol:	-98.8
Dipole, Da:	6.25
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations