Geometry & MOs

Info

ID:	219547
PubChem CID:	85149168
Reduced:	O7N8C25H42 (1)
Stoich.:	A7B8C25D42 (1)
Weight, g/mol:	572.334918
ΔH_f, kcal/mol:	-323.55
Dipole, Da:	11.98
IP(EA), eV:	-9.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-carboxyethyl)-3-[6-[(4-oxo-8-propyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]hexyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3)O

DOS

IR

Vibrations