Geometry & MOs

Info

ID:	134423
PubChem CID:	51694481
Reduced:	O7C22H26 (1)
Stoich.:	A7B22C26 (1)
Weight, g/mol:	406.199153
ΔH_f, kcal/mol:	-290.1
Dipole, Da:	4.52
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S,4R)-3-hydroxy-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4,8-dimethyldec-8-enoic acid

Drug info:

PubChemData

Smile

CCCC1=CC2=C(CO1)C(=O)[C@]([C@@H](C2)OC(=O)C3=C(C=C(C=C3C)OC)O)(C)O

DOS

IR

Vibrations