Geometry & MOs

Info

ID:	64393
PubChem CID:	29199455
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	456.219512
ΔH_f, kcal/mol:	50.8
Dipole, Da:	4.35
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations