Geometry & MOs

Info

ID:	43932
PubChem CID:	10322132
Reduced:	O5C28H46 (1)
Stoich.:	A5B28C46 (1)
Weight, g/mol:	462.180916
ΔH_f, kcal/mol:	-266.8
Dipole, Da:	5.27
IP(EA), eV:	-9.42(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[3-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-7-yl)oxy]propoxy]phenoxy]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CO)/C2)OC3CCCCO3)OC4CCCCO4

DOS

IR

Vibrations