Geometry & MOs

Info

ID:	64157
PubChem CID:	29197007
Reduced:	FOSN2H22C23 (1)
Stoich.:	ABCD2E22F23 (1)
Weight, g/mol:	386.190223
ΔH_f, kcal/mol:	2.68
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.297240
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2F)S)[N+]3=CC=CC(=C3)C

DOS

IR

Vibrations