Geometry & MOs

Info

ID:	10885
PubChem CID:	108684
Reduced:	NSO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	328.137125
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	8.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784148
Charge, e:	1

Chem-info

IUPAC name:

5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethylindol-1-ium

Drug info:

PubChemData

Smile

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C

DOS

IR

Vibrations