Geometry & MOs

Info

ID:	291114
PubChem CID:	111677903
Reduced:	FISN3O3C21H29 (1)
Stoich.:	ABCD3E3F21G29 (1)
Weight, g/mol:	421.183541
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	7.65
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzylsulfonylpropyl)-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCS(=O)(=O)CC1=CC=CC=C1)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations