Geometry & MOs

Info

ID:	291050
PubChem CID:	111677827
Reduced:	FISO2N4C22H30 (1)
Stoich.:	ABCD2E4F22G30 (1)
Weight, g/mol:	432.199526
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	2.83
IP(EA), eV:	-8.83(-0.21)
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

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCC(=O)N2CCC3=C(C2)C=CS3.I

DOS

IR

Vibrations