Geometry & MOs

Info

ID:	233174
PubChem CID:	87692799
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	8.18
Dipole, Da:	0.73
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-(1H-indol-5-yl)ethanesulfonate

Drug info:

PubChemData

Smile

CCC1=C(N=C(S1)NC(=O)C2=CC=NC=C2)C

DOS

IR

Vibrations