Geometry & MOs

Info

ID:	290891
PubChem CID:	111511887
Reduced:	ClO2N4C17H27 (1)
Stoich.:	AB2C4D17E27 (1)
Weight, g/mol:	473.1573
ΔH_f, kcal/mol:	-56.6
Dipole, Da:	5.15
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylsulfonylethyl)-2-(3-cyclopentylpropyl)-3-ethylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCN1CCOCC1)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations