Geometry & MOs

Info

ID:	68385
PubChem CID:	46508313
Reduced:	F3N4O5H17C20 (1)
Stoich.:	A3B4C5D17E20 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-250.41
Dipole, Da:	11.23
IP(EA), eV:	-9.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 1-ethylindole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations