Geometry & MOs

Info

ID:	303228
PubChem CID:	124489382
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	302.085577
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	3.24
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(4-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@H](C2)CNC)F

DOS

IR

Vibrations