Geometry & MOs

Info

ID:	141308
PubChem CID:	52858084
Reduced:	ClSN2O5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-145.6
Dipole, Da:	4.94
IP(EA), eV:	-9.55(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3CC3)Cl

DOS

IR

Vibrations