Geometry & MOs

Info

ID:	33965
PubChem CID:	7889035
Reduced:	SN3H8C10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	327.090686
ΔH_f, kcal/mol:	179.14
Dipole, Da:	8.4
IP(EA), eV:	-8.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)SCC3=CC(=CC=C3)CSC4=NN=C5N4C=CC=C5

DOS

IR

Vibrations