Geometry & MOs

Info

ID:	291060
PubChem CID:	111677839
Reduced:	FISO3N4C20H28 (1)
Stoich.:	ABCD3E4F20G28 (1)
Weight, g/mol:	422.17879
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	7.74
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations