Geometry & MOs

Info

ID:	284634
PubChem CID:	104056376
Reduced:	ClSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	318.080491
ΔH_f, kcal/mol:	-113.73
Dipole, Da:	6.7
IP(EA), eV:	-9.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1CO)S(=O)(=O)C2=CC(=C(C=C2)CN)Cl

DOS

IR

Vibrations