Geometry & MOs

Info

ID:	378080
PubChem CID:	134224151
Reduced:	NCl2F2O3H13C22 (1)
Stoich.:	AB2C2D3E13F22 (1)
Weight, g/mol:	411.04852
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	3.79
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-3-[4-(trifluoromethoxy)benzoyl]-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C=C(C1=C(C=CC(=C1)F)NC2=C(C=C(C=C2)C(=O)O)F)C(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations