Geometry & MOs

Info

ID:	291173
PubChem CID:	111681358
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	421.183541
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	5.25
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=NC=CC2=CC=CC=C21)NCC(C)OC3=CC(=CC=C3)F

DOS

IR

Vibrations