Geometry & MOs

Info

ID:	290634
PubChem CID:	109785067
Reduced:	ClISO2N5C15H27 (1)
Stoich.:	ABCD2E5F15G27 (1)
Weight, g/mol:	536.05097
ΔH_f, kcal/mol:	-65.64
Dipole, Da:	7.59
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(benzenesulfonyl)propyl]-1-[2-(6-chloropyridin-3-yl)ethyl]-3-ethylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCN(CCCNC(=NC)NCCC1=CN=C(C=C1)Cl)S(=O)(=O)C.I

DOS

IR

Vibrations