Geometry & MOs

Info

ID:	399279
PubChem CID:	135039365
Reduced:	ClNSH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	267.108171
ΔH_f, kcal/mol:	45.81
Dipole, Da:	3.32
IP(EA), eV:	-8.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylsulfanylethyl)-1H-indole

Drug info:

PubChemData

Smile

CC(C1=CNC2=C1C=C(C=C2)Cl)SC3=CC=CC=C3

DOS

IR

Vibrations