Geometry & MOs

Info

ID:	378000
PubChem CID:	134224068
Reduced:	ClNOF3H15C23 (1)
Stoich.:	ABCD3E15F23 (1)
Weight, g/mol:	345.056799
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	2.44
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-chlorobenzoyl)-6-fluoro-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=C(C=C2)C(F)(F)F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations