Geometry & MOs

Info

ID:	291008
PubChem CID:	111677781
Reduced:	FISN3O3C17H27 (1)
Stoich.:	ABCD3E3F17G27 (1)
Weight, g/mol:	371.167891
ΔH_f, kcal/mol:	-149.96
Dipole, Da:	10.56
IP(EA), eV:	-8.83(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-2-[2-(4-fluorophenoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCC2CCS(=O)(=O)C2.I

DOS

IR

Vibrations