Geometry & MOs

Info

ID:	64148
PubChem CID:	29196706
Reduced:	SN5O5C19H27 (1)
Stoich.:	AB5C5D19E27 (1)
Weight, g/mol:	358.158923
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	8.5
IP(EA), eV:	-9.29(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)C

DOS

IR

Vibrations