Geometry & MOs

Info

ID:	64384
PubChem CID:	29199431
Reduced:	ClSO3N4C22H28 (1)
Stoich.:	ABC3D4E22F28 (1)
Weight, g/mol:	462.14924
ΔH_f, kcal/mol:	-32.81
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752126
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC(=C(C=C2)OC)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations