Geometry & MOs

Info

ID:	284633
PubChem CID:	104056375
Reduced:	ClSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	304.064841
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	7.15
IP(EA), eV:	-9.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations