Geometry & MOs

Info

ID:	64162
PubChem CID:	29197121
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	392.119951
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	9.41
IP(EA), eV:	-8.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NNC(=O)C3=CC=CC=N3

DOS

IR

Vibrations