Geometry & MOs

Info

ID:	186548
PubChem CID:	77443968
Reduced:	SN2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	251.076871
ΔH_f, kcal/mol:	46.98
Dipole, Da:	2.46
IP(EA), eV:	-8.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-phenylsulfanylethenyl)-1H-indole

Drug info:

PubChemData

Smile

CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCSC4=CC=CC=C4

DOS

IR

Vibrations