Geometry & MOs

Info

ID:	291049
PubChem CID:	111677826
Reduced:	FOSN5C18H22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	560.11182
ΔH_f, kcal/mol:	10.07
Dipole, Da:	1.81
IP(EA), eV:	-8.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-ethyl-2-[2-(4-fluorophenoxy)propyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CN2C=CSC2=N1)NCC(C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations