Geometry & MOs

Info

ID:	284632
PubChem CID:	104056372
Reduced:	ClSN3O4C10H14 (1)
Stoich.:	ABC3D4E10F14 (1)
Weight, g/mol:	304.064841
ΔH_f, kcal/mol:	-152.69
Dipole, Da:	5.98
IP(EA), eV:	-9.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(aminomethyl)-2-chlorophenyl]sulfonylpyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NCCOC(=O)N)Cl)CN

DOS

IR

Vibrations