Geometry & MOs

Info

ID:	55201
PubChem CID:	17389888
Reduced:	SO2N3C7H11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	257.066363
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	8.25
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)SCC(=O)O

DOS

IR

Vibrations