Geometry & MOs

Info

ID:	291185
PubChem CID:	111881665
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	449.03038
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	2.27
IP(EA), eV:	-8.77(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(3-hydroxythiolan-3-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=CC(=C1)CN=C(NCC)NCC2=CC=CC=C2OCC

DOS

IR

Vibrations