Geometry & MOs

Info

ID:	378066
PubChem CID:	134224135
Reduced:	FNSO3H16C23 (1)
Stoich.:	ABCD3E16F23 (1)
Weight, g/mol:	433.114793
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	4.07
IP(EA), eV:	-8.93(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-benzoyl-6-fluoro-1-(4-methylsulfanylphenyl)indole-2-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C3=C(C=CC(=C3)F)C(=C2C(=O)O)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations