Geometry & MOs

Info

ID:	290703
PubChem CID:	109817168
Reduced:	ISO4N5C17H34 (1)
Stoich.:	ABC4D5E17F34 (1)
Weight, g/mol:	498.15254
ΔH_f, kcal/mol:	-186.33
Dipole, Da:	7.75
IP(EA), eV:	-9.03(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(4-ethylsulfanyloxan-4-yl)methyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCS(=O)(=O)NCC2CCCCO2.I

DOS

IR

Vibrations