Geometry & MOs

Info

ID:	199203
PubChem CID:	79214988
Reduced:	ClNS2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	301.032813
ΔH_f, kcal/mol:	51.3
Dipole, Da:	2.45
IP(EA), eV:	-8.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1H-indol-3-yl)-(4-methylsulfanylphenyl)methanone

Drug info:

PubChemData

Smile

CNC(C1=CC=C(C=C1)SC)C2=CC=C(S2)Cl

DOS

IR

Vibrations