Geometry & MOs

Info

ID:	64160
PubChem CID:	29197113
Reduced:	BrSN2O2H21C23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	388.169488
ΔH_f, kcal/mol:	6.4
Dipole, Da:	2.02
IP(EA), eV:	-8.33(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)C(=C(C2=CC=C(C=C2)Br)[O-])[N+]3=CC=CC(=C3)CO)C

DOS

IR

Vibrations