Geometry & MOs

Info

ID:	64149
PubChem CID:	29196801
Reduced:	SO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	372.174573
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	5.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.171073
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)[NH+](C)C

DOS

IR

Vibrations