Geometry & MOs

Info

ID:	189665
PubChem CID:	77886365
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	482.346821
ΔH_f, kcal/mol:	-114.76
Dipole, Da:	6.32
IP(EA), eV:	-8.39(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminobutyl)guanidine;7-[2-(3,7-dihydroxyoctyl)-5-oxocyclopent-3-en-1-yl]hept-2-enoic acid

Drug info:

PubChemData

Smile

CN1CCNC1NCCSC2=CNC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations