Geometry & MOs

Info

ID:	291014
PubChem CID:	111677787
Reduced:	FISN3O3C16H27 (1)
Stoich.:	ABCD3E3F16G27 (1)
Weight, g/mol:	359.167891
ΔH_f, kcal/mol:	-154.46
Dipole, Da:	7.68
IP(EA), eV:	-8.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-(3-methylsulfonylpropyl)guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCCS(=O)(=O)C.I

DOS

IR

Vibrations