Geometry & MOs

Info

ID:	64152
PubChem CID:	29196915
Reduced:	ClO2S2N3C16H19 (1)
Stoich.:	AB2C2D3E16F19 (1)
Weight, g/mol:	394.158923
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125449
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(1H-indol-3-yl)-2-(naphthalen-1-ylsulfonylamino)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNS(=O)(=O)C1=CC=C(S1)Cl)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations