Geometry & MOs

Info

ID:	291030
PubChem CID:	111677805
Reduced:	FISO3N4C18H32 (1)
Stoich.:	ABCD3E4F18G32 (1)
Weight, g/mol:	402.21009
ΔH_f, kcal/mol:	-156.8
Dipole, Da:	3.54
IP(EA), eV:	-9.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-[2-(4-fluorophenoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCCN(C)S(=O)(=O)CC.I

DOS

IR

Vibrations