Geometry & MOs

Info

ID:	64153
PubChem CID:	29196989
Reduced:	SO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	372.174573
ΔH_f, kcal/mol:	14.98
Dipole, Da:	15.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.089425
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[(2,5-dimethylphenyl)sulfonylamino]-1-(1H-indol-3-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations