Geometry & MOs

Info

ID:	291079
PubChem CID:	111677866
Reduced:	FSO3N4C19H25 (1)
Stoich.:	ABC3D4E19F25 (1)
Weight, g/mol:	408.16314
ΔH_f, kcal/mol:	-108.35
Dipole, Da:	9.13
IP(EA), eV:	-8.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)S(=O)(=O)N)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations