Geometry & MOs

Info

ID:	303229
PubChem CID:	124489386
Reduced:	ClSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	3.79
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(3S)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations