Geometry & MOs

Info

ID:	378001
PubChem CID:	134224069
Reduced:	ClFNO3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	435.103749
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	1.71
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-chlorobenzoyl)-6-fluoro-1-(4-methylphenyl)indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)F)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations