Geometry & MOs

Info

ID:	64336
PubChem CID:	29199184
Reduced:	SN5O5C24H29 (1)
Stoich.:	AB5C5D24E29 (1)
Weight, g/mol:	427.216772
ΔH_f, kcal/mol:	-129.33
Dipole, Da:	0.89
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations