Geometry & MOs

Info

ID:	64163
PubChem CID:	29197122
Reduced:	ClSO2N3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	391.112126
ΔH_f, kcal/mol:	-11.34
Dipole, Da:	4.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.173336
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2R)-2-(dimethylamino)-2-(1H-indol-3-yl)ethyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)[NH+](C)C)Cl

DOS

IR

Vibrations