Geometry & MOs

Info

ID:	291038
PubChem CID:	111677813
Reduced:	FISN3O3C22H31 (1)
Stoich.:	ABCD3E3F22G31 (1)
Weight, g/mol:	435.199191
ΔH_f, kcal/mol:	-131.49
Dipole, Da:	5.07
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCCS(=O)(=O)CC2=CC=CC=C2.I

DOS

IR

Vibrations