Geometry & MOs

Info

ID:	399278
PubChem CID:	135039348
Reduced:	CsO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	287.053548
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	4.2
IP(EA), eV:	-7.05(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(1-phenylsulfanylethyl)-1H-indole

Drug info:

PubChemData

Smile

C[C@H](C/C=C/C=O)[CH-]O.[Cs+]

DOS

IR

Vibrations