Geometry & MOs

Info

ID:	191052
PubChem CID:	78099725
Reduced:	O3C33H50 (1)
Stoich.:	A3B33C50 (1)
Weight, g/mol:	438.188983
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	3.8
IP(EA), eV:	-8.74(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-hydroxy-5-(4-hydroxyphenoxy)carbonyloxy-6-methyloxan-2-yl]oxynon-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)(C#C)O)C)C(=O)OC

DOS

IR

Vibrations