Geometry & MOs

Info

ID:	284613
PubChem CID:	104055600
Reduced:	ClSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	326.016177
ΔH_f, kcal/mol:	-53.51
Dipole, Da:	7.52
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-3-chloro-N-(2-methylsulfonylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(C)S(=O)(=O)C2=CC(=C(C=C2)CN)Cl

DOS

IR

Vibrations