Geometry & MOs

Info

ID:	303214
PubChem CID:	124489365
Reduced:	BrSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	306.060505
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	5.79
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations